N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide

C30H34N6O2 — CID 58064227

IUPACN,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
SMILESCc1ccc2c(N3CCN(CCCc4cccc5c4OCc4c(C(=O)N(C)C)ncn4-5)CC3)cccc2n1
InChIInChI=1S/C30H34N6O2/c1-21-12-13-23-24(32-21)9-5-10-25(23)35-17-15-34(16-18-35)14-6-8-22-7-4-11-26-29(22)38-19-27-28(30(37)33(2)3)31-20-36(26)27/h4-5,7,9-13,20H,6,8,14-19H2,1-3H3
InChIKeyUHMMFOCZMOGHNJ-UHFFFAOYSA-N
MW510.64 g/mol
LogP4.08
Rot. Bonds6

About N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide

N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide (PubChem CID 58064227) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
PubChem CID58064227
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC NameN,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
SMILESCc1ccc2c(N3CCN(CCCc4cccc5c4OCc4c(C(=O)N(C)C)ncn4-5)CC3)cccc2n1
InChIInChI=1S/C30H34N6O2/c1-21-12-13-23-24(32-21)9-5-10-25(23)35-17-15-34(16-18-35)14-6-8-22-7-4-11-26-29(22)38-19-27-28(30(37)33(2)3)31-20-36(26)27/h4-5,7,9-13,20H,6,8,14-19H2,1-3H3
InChIKeyUHMMFOCZMOGHNJ-UHFFFAOYSA-N
XLogP4.08
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-[4-[2-(dimethylcarbamoyl)quinolin-5-yl]piperazin-1-yl]ethyl]-N,N-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 58064135
azetidin-1-yl-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]methanone
CID 46899638
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-N-propan-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide;dihydrochloride
CID 46900781
N-cyclopentyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide;dihydrochloride
CID 46900957
1-cyclopropyl-N-methoxy-1-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]methanimine
CID 76683078
6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine;dihydrochloride
CID 66684910
(E)-3-(dimethylamino)-1-[6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]but-2-en-1-one
CID 66684207
N-methyl-6-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 58064147
1-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethanone
CID 58064299
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064297
7-fluoro-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carbonitrile;dihydrochloride
CID 66685009
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66682679

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide (CID 58064227) is N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide is Cc1ccc2c(N3CCN(CCCc4cccc5c4OCc4c(C(=O)N(C)C)ncn4-5)CC3)cccc2n1.
What is the InChIKey of N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide?
The InChIKey is UHMMFOCZMOGHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-21-12-13-23-24(32-21)9-5-10-25(23)35-17-15-34(16-18-35)14-6-8-22-7-4-11-26-29(22)38-19-27-28(30(37)33(2)3)31-20-36(26)27/h4-5,7,9-13,20H,6,8,14-19H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide?
N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide is sourced from PubChem (CID 58064227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).