About N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 158490201) has the molecular formula C140H156ClN29O13
and a molecular weight of 2488.43 g/mol. Its IUPAC name is N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Frequently Asked Questions
What is the IUPAC name of N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 158490201) is N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CC(c1ccccc1)N1CCN(C(=O)Cc2nnc3n(CC4CCOC4)c(=O)c4ccccc4n23)CC1.CN1C(=O)c2ccccc2C(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1c1c[nH]c(N2CCCC2)c1.Cc1ccccc1N1CCN(C(=O)C2c3ccccc3C(=O)N(C)C2c2cn(C3CC3)cc2C2CC2)CC1.N#Cc1ccccc1C(=O)Nc1nc2ccccc2c(=O)n1CN1CCN(C(N)=O)CC1.O=C(CNc1nc2ccccc2c(=O)n1CN1CCN(C(=O)NCc2ccccc2)CC1)NC1CC=CCC1.
What is the InChIKey of N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is HIPIMCCTDPSBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2.C29H32ClN5O2.C29H35N7O3.C28H32N6O3.C22H21N7O3/c1-21-7-3-6-10-28(21)34-15-17-35(18-16-34)32(38)29-24-8-4-5-9-25(24)31(37)33(2)30(29)27-20-36(23-13-14-23)19-26(27)22-11-12-22;1-32-27(20-18-25(31-19-20)34-12-4-5-13-34)26(23-6-2-3-7-24(23)28(32)36)29(37)35-16-14-33(15-17-35)22-10-8-21(30)9-11-22;37-26(32-23-11-5-2-6-12-23)20-30-28-33-25-14-8-7-13-24(25)27(38)36(28)21-34-15-17-35(18-16-34)29(39)31-19-22-9-3-1-4-10-22;1-20(22-7-3-2-4-8-22)31-12-14-32(15-13-31)26(35)17-25-29-30-28-33(18-21-11-16-37-19-21)27(36)23-9-5-6-10-24(23)34(25)28;23-13-15-5-1-2-6-16(15)19(30)26-22-25-18-8-4-3-7-17(18)20(31)29(22)14-27-9-11-28(12-10-27)21(24)32/h3-10,19-20,22-23,29-30H,11-18H2,1-2H3;2-3,6-11,18-19,26-27,31H,4-5,12-17H2,1H3;1-5,7-10,13-14,23H,6,11-12,15-21H2,(H,30,33)(H,31,39)(H,32,37);2-10,20-21H,11-19H2,1H3;1-8H,9-12,14H2,(H2,24,32)(H,25,26,30).
What are the key properties of N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 2488.43 g/mol, XLogP of 16.02, 27 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-[[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one;4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide;3-(1,4-dicyclopropylpyrrol-3-yl)-2-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one;4-(oxolan-3-ylmethyl)-1-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 158490201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).