8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C17H22N6O2 — CID 45139613

IUPAC8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(CCO)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C17H22N6O2/c18-16(25)14-12-6-5-10-9-19-17(20-11-3-1-2-4-11)21-13(10)15(12)23(22-14)7-8-24/h9,11,24H,1-8H2,(H2,18,25)(H,19,20,21)
InChIKeyQWTLNMRLRGDLQY-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.88
Rot. Bonds5

About 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45139613) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45139613
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(CCO)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C17H22N6O2/c18-16(25)14-12-6-5-10-9-19-17(20-11-3-1-2-4-11)21-13(10)15(12)23(22-14)7-8-24/h9,11,24H,1-8H2,(H2,18,25)(H,19,20,21)
InChIKeyQWTLNMRLRGDLQY-UHFFFAOYSA-N
XLogP0.88
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45139613) is 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is NC(=O)c1nn(CCO)c2c1CCc1cnc(NC3CCCC3)nc1-2.
What is the InChIKey of 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is QWTLNMRLRGDLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-16(25)14-12-6-5-10-9-19-17(20-11-3-1-2-4-11)21-13(10)15(12)23(22-14)7-8-24/h9,11,24H,1-8H2,(H2,18,25)(H,19,20,21).
What are the key properties of 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45139613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).