(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol

C22H26N4O — CID 68722436

IUPAC(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol
SMILESOC[C@H](Cc1ccccc1)Nc1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C22H26N4O/c27-16-18(15-17-9-3-1-4-10-17)23-21-19-11-5-6-12-20(19)24-22(25-21)26-13-7-2-8-14-26/h1,3-6,9-12,18,27H,2,7-8,13-16H2,(H,23,24,25)/t18-/m0/s1
InChIKeyCSRGHCQNAZYPQL-SFHVURJKSA-N
MW362.48 g/mol
LogP3.64
Rot. Bonds6

About (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol

(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol (PubChem CID 68722436) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol
PubChem CID68722436
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol
SMILESOC[C@H](Cc1ccccc1)Nc1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C22H26N4O/c27-16-18(15-17-9-3-1-4-10-17)23-21-19-11-5-6-12-20(19)24-22(25-21)26-13-7-2-8-14-26/h1,3-6,9-12,18,27H,2,7-8,13-16H2,(H,23,24,25)/t18-/m0/s1
InChIKeyCSRGHCQNAZYPQL-SFHVURJKSA-N
XLogP3.64
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964161
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91964164
N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68781551
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91963216
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964156
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91964165
(2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol
CID 97197584
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68723199
1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide
CID 91966112
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
CID 164569939
N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
CID 68721936
4-chloro-2-piperidin-1-ylquinazoline
CID 15692068

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol?
The IUPAC name of (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol (CID 68722436) is (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol is OC[C@H](Cc1ccccc1)Nc1nc(N2CCCCC2)nc2ccccc12.
What is the InChIKey of (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol?
The InChIKey is CSRGHCQNAZYPQL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O/c27-16-18(15-17-9-3-1-4-10-17)23-21-19-11-5-6-12-20(19)24-22(25-21)26-13-7-2-8-14-26/h1,3-6,9-12,18,27H,2,7-8,13-16H2,(H,23,24,25)/t18-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol?
(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol has a molecular weight of 362.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 68722436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).