[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C25H30N6O3 — CID 26348088

IUPAC[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccc(OC)cc3CC4)c2C)CC1
InChIInChI=1S/C25H30N6O3/c1-17-22(24(32)30-10-8-29(9-11-30)12-13-33-2)16-27-31(17)25-26-15-19-5-4-18-14-20(34-3)6-7-21(18)23(19)28-25/h6-7,14-16H,4-5,8-13H2,1-3H3
InChIKeyTXDVMEDBPNOGLL-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.15
Rot. Bonds6

About [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 26348088) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID26348088
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccc(OC)cc3CC4)c2C)CC1
InChIInChI=1S/C25H30N6O3/c1-17-22(24(32)30-10-8-29(9-11-30)12-13-33-2)16-27-31(17)25-26-15-19-5-4-18-14-20(34-3)6-7-21(18)23(19)28-25/h6-7,14-16H,4-5,8-13H2,1-3H3
InChIKeyTXDVMEDBPNOGLL-UHFFFAOYSA-N
XLogP2.15
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 166613247
[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 26354903
[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 59784830
[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 26342576
1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 26341663
[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 26361627
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 42376198
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methylpyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 42452093
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42397418
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]methanone
CID 26350679
[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 59785210
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 42323991

Frequently Asked Questions

What is the IUPAC name of [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 26348088) is [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccc(OC)cc3CC4)c2C)CC1.
What is the InChIKey of [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is TXDVMEDBPNOGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-17-22(24(32)30-10-8-29(9-11-30)12-13-33-2)16-27-31(17)25-26-15-19-5-4-18-14-20(34-3)6-7-21(18)23(19)28-25/h6-7,14-16H,4-5,8-13H2,1-3H3.
What are the key properties of [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 462.55 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 26348088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).