N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide

C23H32N4O2 — CID 58082314

IUPACN-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide
SMILESO=C(N[C@H](CO)CC1CCCCC1)c1ccc2cnc(NC3CCCC3)nc2c1
InChIInChI=1S/C23H32N4O2/c28-15-20(12-16-6-2-1-3-7-16)25-22(29)17-10-11-18-14-24-23(27-21(18)13-17)26-19-8-4-5-9-19/h10-11,13-14,16,19-20,28H,1-9,12,15H2,(H,25,29)(H,24,26,27)/t20-/m0/s1
InChIKeyPOLFECUUQXPQNK-FQEVSTJZSA-N
MW396.54 g/mol
LogP4.05
Rot. Bonds7

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

N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide (PubChem CID 58082314) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide
PubChem CID58082314
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide
SMILESO=C(N[C@H](CO)CC1CCCCC1)c1ccc2cnc(NC3CCCC3)nc2c1
InChIInChI=1S/C23H32N4O2/c28-15-20(12-16-6-2-1-3-7-16)25-22(29)17-10-11-18-14-24-23(27-21(18)13-17)26-19-8-4-5-9-19/h10-11,13-14,16,19-20,28H,1-9,12,15H2,(H,25,29)(H,24,26,27)/t20-/m0/s1
InChIKeyPOLFECUUQXPQNK-FQEVSTJZSA-N
XLogP4.05
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide?
The IUPAC name of N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide (CID 58082314) is N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide?
The canonical SMILES for N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide is O=C(N[C@H](CO)CC1CCCCC1)c1ccc2cnc(NC3CCCC3)nc2c1.
What is the InChIKey of N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide?
The InChIKey is POLFECUUQXPQNK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N4O2/c28-15-20(12-16-6-2-1-3-7-16)25-22(29)17-10-11-18-14-24-23(27-21(18)13-17)26-19-8-4-5-9-19/h10-11,13-14,16,19-20,28H,1-9,12,15H2,(H,25,29)(H,24,26,27)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide?
N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide is sourced from PubChem (CID 58082314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).