1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide

C25H30N6O2 — CID 28783975

IUPAC1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C25H30N6O2/c1-17-21(23(32)27-16-25(2,3)30-10-12-33-13-11-30)15-28-31(17)24-26-14-19-9-8-18-6-4-5-7-20(18)22(19)29-24/h4-7,14-15H,8-13,16H2,1-3H3,(H,27,32)
InChIKeyXXKOHLFLHUEADK-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.58
Rot. Bonds5

About 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide

1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (PubChem CID 28783975) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
PubChem CID28783975
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C25H30N6O2/c1-17-21(23(32)27-16-25(2,3)30-10-12-33-13-11-30)15-28-31(17)24-26-14-19-9-8-18-6-4-5-7-20(18)22(19)29-24/h4-7,14-15H,8-13,16H2,1-3H3,(H,27,32)
InChIKeyXXKOHLFLHUEADK-UHFFFAOYSA-N
XLogP2.58
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrazolo[4,3-h]quinazoline-3-carboxamide, 30
CID 44232696
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 37
CID 44232939
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 31
CID 44236108
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 36
CID 44236111
1,3-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-4-carboxamide
CID 46231352
(-)-[2-{[3-(4-Fluorophenyl)-1H-pyrazol-1-yl]methyl}-1,3-oxazinan-3-yl][5-methyl-2-(pyrimidin-2-yl)phenyl]methanone
CID 118020586
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-morpholinyl)ethyl]-1H-pyrazole-4-carboxamide
CID 29170802
N-[2-(4-morpholinyl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1370002
2-(2-Methoxyethylamino)-4-[3-methyl-5-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]isoquinolin-1-yl]benzamide
CID 57520974
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide
CID 58081205
2-(2-Methoxyethylamino)-4-[5-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]isoquinolin-1-yl]benzamide
CID 89886635
1-(oxan-4-yl)-6-[(2-pyrimidin-5-ylphenyl)methyl]-5H-pyrazolo[4,5-c]pyridin-4-one
CID 136057603

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (CID 28783975) is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2.
What is the InChIKey of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is XXKOHLFLHUEADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-21(23(32)27-16-25(2,3)30-10-12-33-13-11-30)15-28-31(17)24-26-14-19-9-8-18-6-4-5-7-20(18)22(19)29-24/h4-7,14-15H,8-13,16H2,1-3H3,(H,27,32).
What are the key properties of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 28783975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).