ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone

C23H28N4O — CID 164569939

IUPACethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
SMILESCC.O=C(CNc1nc(N2CCCCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H22N4O.C2H6/c26-19(16-9-3-1-4-10-16)15-22-20-17-11-5-6-12-18(17)23-21(24-20)25-13-7-2-8-14-25;1-2/h1,3-6,9-12H,2,7-8,13-15H2,(H,22,23,24);1-2H3
InChIKeyHAKMRQGCRXNCDG-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.94
Rot. Bonds5

About ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone

ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone (PubChem CID 164569939) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone.

Molecular Properties

Compound Nameethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
PubChem CID164569939
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Nameethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
SMILESCC.O=C(CNc1nc(N2CCCCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H22N4O.C2H6/c26-19(16-9-3-1-4-10-16)15-22-20-17-11-5-6-12-18(17)23-21(24-20)25-13-7-2-8-14-25;1-2/h1,3-6,9-12H,2,7-8,13-15H2,(H,22,23,24);1-2H3
InChIKeyHAKMRQGCRXNCDG-UHFFFAOYSA-N
XLogP4.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
CID 68721936
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide
CID 164570004
N-[(1-methylpiperidin-4-yl)methyl]-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide
CID 164569952
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
2-[4-[4-(benzylamino)quinazolin-2-yl]-1,4-diazepan-1-yl]acetamide
CID 166243447
N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68781551
1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide
CID 91966112
(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol
CID 68722436
1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 25144877
N-(4-nitrophenyl)-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)ethane-1,2-diamine
CID 2956962
2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 142682247

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone?
The IUPAC name of ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone (CID 164569939) is ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone.
What is the SMILES notation for ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone?
The canonical SMILES for ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone is CC.O=C(CNc1nc(N2CCCCC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone?
The InChIKey is HAKMRQGCRXNCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.C2H6/c26-19(16-9-3-1-4-10-16)15-22-20-17-11-5-6-12-18(17)23-21(24-20)25-13-7-2-8-14-25;1-2/h1,3-6,9-12H,2,7-8,13-15H2,(H,22,23,24);1-2H3.
What are the key properties of ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone?
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone has a molecular weight of 376.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone is sourced from PubChem (CID 164569939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).