8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C22H24N6O — CID 163626767

IUPAC8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(NC(CC3=CC=CCC3)=C3CC3)ncc1CC2
InChIInChI=1S/C22H24N6O/c1-28-20-16(19(27-28)21(23)29)10-9-15-12-24-22(26-18(15)20)25-17(14-7-8-14)11-13-5-3-2-4-6-13/h2-3,5,12H,4,6-11H2,1H3,(H2,23,29)(H,24,25,26)
InChIKeyHSRMXDQWWQGJHG-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.20
Rot. Bonds5

About 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 163626767) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID163626767
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(NC(CC3=CC=CCC3)=C3CC3)ncc1CC2
InChIInChI=1S/C22H24N6O/c1-28-20-16(19(27-28)21(23)29)10-9-15-12-24-22(26-18(15)20)25-17(14-7-8-14)11-13-5-3-2-4-6-13/h2-3,5,12H,4,6-11H2,1H3,(H2,23,29)(H,24,25,26)
InChIKeyHSRMXDQWWQGJHG-UHFFFAOYSA-N
XLogP3.20
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 163626767) is 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(N)=O)c2c1-c1nc(NC(CC3=CC=CCC3)=C3CC3)ncc1CC2.
What is the InChIKey of 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is HSRMXDQWWQGJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-28-20-16(19(27-28)21(23)29)10-9-15-12-24-22(26-18(15)20)25-17(14-7-8-14)11-13-5-3-2-4-6-13/h2-3,5,12H,4,6-11H2,1H3,(H2,23,29)(H,24,25,26).
What are the key properties of 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 163626767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).