N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide

C24H30N6O2 — CID 42420802

IUPACN-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C
InChIInChI=1S/C24H30N6O2/c1-5-29(6-2)12-11-25-23(31)21-15-27-30(16(21)3)24-26-14-18-8-7-17-13-19(32-4)9-10-20(17)22(18)28-24/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,25,31)
InChIKeyQWGBPJHJVOJJQB-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.82
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide

N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide (PubChem CID 42420802) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide
PubChem CID42420802
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C
InChIInChI=1S/C24H30N6O2/c1-5-29(6-2)12-11-25-23(31)21-15-27-30(16(21)3)24-26-14-18-8-7-17-13-19(32-4)9-10-20(17)22(18)28-24/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,25,31)
InChIKeyQWGBPJHJVOJJQB-UHFFFAOYSA-N
XLogP2.82
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(4-Methoxybenzyl)amino]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 45141800
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2998727
3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 16026324
[1-Benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 16298601
2-[(4-Methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
CID 52947769
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]pyrazole-4-carboxamide
CID 58081299
5-Fluoro-2-(3-fluoro-propylamino)-quinazoline-7-carboxylic acid [(S)-(3-fluoro-4-methoxy-phenyl)-(1-methyl-1H-pyrazol-4-yl)-methyl]-amide
CID 71247882
3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(3S,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]isoquinoline-6-carboxamide
CID 89989325
2-[4-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049121
US11155557, Example 67
CID 146254857
US11613527, Example 7
CID 156070735
US11613527, Example 6
CID 162779154

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide (CID 42420802) is N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide is CCN(CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide?
The InChIKey is QWGBPJHJVOJJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-5-29(6-2)12-11-25-23(31)21-15-27-30(16(21)3)24-26-14-18-8-7-17-13-19(32-4)9-10-20(17)22(18)28-24/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,25,31).
What are the key properties of N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 42420802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).