1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide

C24H30N6O2 — CID 26401380

IUPAC1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide
SMILESCOCc1c(C(=O)N(C)CCCN(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C24H30N6O2/c1-28(2)12-7-13-29(3)23(31)20-15-26-30(21(20)16-32-4)24-25-14-18-11-10-17-8-5-6-9-19(17)22(18)27-24/h5-6,8-9,14-15H,7,10-13,16H2,1-4H3
InChIKeyYTGQRJJFZHFUHW-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.60
Rot. Bonds8

About 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide

1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide (PubChem CID 26401380) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide
PubChem CID26401380
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide
SMILESCOCc1c(C(=O)N(C)CCCN(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C24H30N6O2/c1-28(2)12-7-13-29(3)23(31)20-15-26-30(21(20)16-32-4)24-25-14-18-11-10-17-8-5-6-9-19(17)22(18)27-24/h5-6,8-9,14-15H,7,10-13,16H2,1-4H3
InChIKeyYTGQRJJFZHFUHW-UHFFFAOYSA-N
XLogP2.60
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-morpholinyl)ethyl]-1H-pyrazole-4-carboxamide
CID 29170802
US11613527, Example 157
CID 156069929
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 29259188
[1-(3,5-Diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42422011
1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
CID 45167538
N-[(1-amino-5-methylisoquinolin-6-yl)methyl]-3-(methoxymethyl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 121366348
3-methoxymethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid (1-amino-isoquinolin-6-ylmethyl)-amide
CID 86345289
US11186582, Example 242
CID 118471407
US11186582, Example 210
CID 118471552
US11186582, Example 241
CID 118479590
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 28783975
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-methyl-2-(4-morpholinyl)propyl]-1H-pyrazole-4-carboxamide
CID 29183182

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide (CID 26401380) is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide is COCc1c(C(=O)N(C)CCCN(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2.
What is the InChIKey of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is YTGQRJJFZHFUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-28(2)12-7-13-29(3)23(31)20-15-26-30(21(20)16-32-4)24-25-14-18-11-10-17-8-5-6-9-19(17)22(18)27-24/h5-6,8-9,14-15H,7,10-13,16H2,1-4H3.
What are the key properties of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide?
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 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)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 26401380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).