2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide

C19H26N4O2 — CID 58082625

IUPAC2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide
SMILESCCC[C@@H](CO)NC(=O)c1ccc2cnc(NC3CCCC3)nc2c1
InChIInChI=1S/C19H26N4O2/c1-2-5-16(12-24)21-18(25)13-8-9-14-11-20-19(23-17(14)10-13)22-15-6-3-4-7-15/h8-11,15-16,24H,2-7,12H2,1H3,(H,21,25)(H,20,22,23)/t16-/m0/s1
InChIKeyIDDANAMWDGPJAP-INIZCTEOSA-N
MW342.44 g/mol
LogP2.88
Rot. Bonds7

About 2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide

2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide (PubChem CID 58082625) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide
PubChem CID58082625
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide
SMILESCCC[C@@H](CO)NC(=O)c1ccc2cnc(NC3CCCC3)nc2c1
InChIInChI=1S/C19H26N4O2/c1-2-5-16(12-24)21-18(25)13-8-9-14-11-20-19(23-17(14)10-13)22-15-6-3-4-7-15/h8-11,15-16,24H,2-7,12H2,1H3,(H,21,25)(H,20,22,23)/t16-/m0/s1
InChIKeyIDDANAMWDGPJAP-INIZCTEOSA-N
XLogP2.88
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.88
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-hydroxypentan-2-yl]quinazoline-7-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide (CID 58082625) is 2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide is CCC[C@@H](CO)NC(=O)c1ccc2cnc(NC3CCCC3)nc2c1.
What is the InChIKey of 2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide?
The InChIKey is IDDANAMWDGPJAP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-5-16(12-24)21-18(25)13-8-9-14-11-20-19(23-17(14)10-13)22-15-6-3-4-7-15/h8-11,15-16,24H,2-7,12H2,1H3,(H,21,25)(H,20,22,23)/t16-/m0/s1.
What are the key properties of 2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide?
2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.88, 7 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-hydroxypentan-2-yl]quinazoline-7-carboxamide is sourced from PubChem (CID 58082625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).