1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide

C25H30N6O3 — CID 26332215

IUPAC1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCCCN2CCOCC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C25H30N6O3/c1-33-17-22-21(24(32)26-9-4-10-30-11-13-34-14-12-30)16-28-31(22)25-27-15-19-8-7-18-5-2-3-6-20(18)23(19)29-25/h2-3,5-6,15-16H,4,7-14,17H2,1H3,(H,26,32)
InChIKeyFNGPDABBVUQBIS-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.03
Rot. Bonds8

About 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide

1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide (PubChem CID 26332215) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
PubChem CID26332215
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCCCN2CCOCC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C25H30N6O3/c1-33-17-22-21(24(32)26-9-4-10-30-11-13-34-14-12-30)16-28-31(22)25-27-15-19-8-7-18-5-2-3-6-20(18)23(19)29-25/h2-3,5-6,15-16H,4,7-14,17H2,1H3,(H,26,32)
InChIKeyFNGPDABBVUQBIS-UHFFFAOYSA-N
XLogP2.03
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 118756047
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 45242343
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42440166
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 29001420
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 26361722
2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 71700298
[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]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45167259
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 42421389
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953986
N-(3-morpholin-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 17465579
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 26275723

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide (CID 26332215) is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide is COCc1c(C(=O)NCCCN2CCOCC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2.
What is the InChIKey of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is FNGPDABBVUQBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-33-17-22-21(24(32)26-9-4-10-30-11-13-34-14-12-30)16-28-31(22)25-27-15-19-8-7-18-5-2-3-6-20(18)23(19)29-25/h2-3,5-6,15-16H,4,7-14,17H2,1H3,(H,26,32).
What are the key properties of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26332215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).