5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide

C30H26N6O — CID 42420398

IUPAC5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCN(Cc1cccc2ncccc12)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C30H26N6O/c1-35(18-22-7-4-10-26-23(22)9-5-15-31-26)29(37)25-17-33-36(28(25)20-12-13-20)30-32-16-21-14-11-19-6-2-3-8-24(19)27(21)34-30/h2-10,15-17,20H,11-14,18H2,1H3
InChIKeyZXJRKXZZAQUKKN-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.13
Rot. Bonds5

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

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42420398) has the molecular formula C30H26N6O and a molecular weight of 486.58 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
PubChem CID42420398
Molecular FormulaC30H26N6O
Molecular Weight486.58 g/mol
Exact Mass486.22
IUPAC Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCN(Cc1cccc2ncccc12)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C30H26N6O/c1-35(18-22-7-4-10-26-23(22)9-5-15-31-26)29(37)25-17-33-36(28(25)20-12-13-20)30-32-16-21-14-11-19-6-2-3-8-24(19)27(21)34-30/h2-10,15-17,20H,11-14,18H2,1H3
InChIKeyZXJRKXZZAQUKKN-UHFFFAOYSA-N
XLogP5.13
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide (CID 42420398) is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide is CN(Cc1cccc2ncccc12)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ZXJRKXZZAQUKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O/c1-35(18-22-7-4-10-26-23(22)9-5-15-31-26)29(37)25-17-33-36(28(25)20-12-13-20)30-32-16-21-14-11-19-6-2-3-8-24(19)27(21)34-30/h2-10,15-17,20H,11-14,18H2,1H3.
What are the key properties of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42420398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).