2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide

C19H26N4O2 — CID 58082418

IUPAC2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2cnc(NC3CCCC3)nc2c1
InChIInChI=1S/C19H26N4O2/c1-12(2)17(11-24)22-18(25)13-7-8-14-10-20-19(23-16(14)9-13)21-15-5-3-4-6-15/h7-10,12,15,17,24H,3-6,11H2,1-2H3,(H,22,25)(H,20,21,23)/t17-/m1/s1
InChIKeyFCDWMPOTGIYEPB-QGZVFWFLSA-N
MW342.44 g/mol
LogP2.73
Rot. Bonds6

About 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide

2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide (PubChem CID 58082418) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
PubChem CID58082418
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2cnc(NC3CCCC3)nc2c1
InChIInChI=1S/C19H26N4O2/c1-12(2)17(11-24)22-18(25)13-7-8-14-10-20-19(23-16(14)9-13)21-15-5-3-4-6-15/h7-10,12,15,17,24H,3-6,11H2,1-2H3,(H,22,25)(H,20,21,23)/t17-/m1/s1
InChIKeyFCDWMPOTGIYEPB-QGZVFWFLSA-N
XLogP2.73
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide (CID 58082418) is 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide is CC(C)[C@@H](CO)NC(=O)c1ccc2cnc(NC3CCCC3)nc2c1.
What is the InChIKey of 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide?
The InChIKey is FCDWMPOTGIYEPB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)17(11-24)22-18(25)13-7-8-14-10-20-19(23-16(14)9-13)21-15-5-3-4-6-15/h7-10,12,15,17,24H,3-6,11H2,1-2H3,(H,22,25)(H,20,21,23)/t17-/m1/s1.
What are the key properties of 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide?
2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide is sourced from PubChem (CID 58082418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).