4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide

C22H24N4O — CID 141424306

IUPAC4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide
SMILESCc1nc(C[C@H](CC2CNC2)c2ccccc2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C22H24N4O/c1-14-25-20(18-8-5-9-19(22(23)27)21(18)26-14)11-17(10-15-12-24-13-15)16-6-3-2-4-7-16/h2-9,15,17,24H,10-13H2,1H3,(H2,23,27)/t17-/m0/s1
InChIKeyFELVLSIQRIHETE-KRWDZBQOSA-N
MW360.46 g/mol
LogP2.97
Rot. Bonds6

About 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide

4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide (PubChem CID 141424306) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide
PubChem CID141424306
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide
SMILESCc1nc(C[C@H](CC2CNC2)c2ccccc2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C22H24N4O/c1-14-25-20(18-8-5-9-19(22(23)27)21(18)26-14)11-17(10-15-12-24-13-15)16-6-3-2-4-7-16/h2-9,15,17,24H,10-13H2,1H3,(H2,23,27)/t17-/m0/s1
InChIKeyFELVLSIQRIHETE-KRWDZBQOSA-N
XLogP2.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide;4-[(2S)-3-(azetidin-1-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide
CID 66714371
4-[(2S)-3-(azetidin-1-yl)-2-(3-fluorophenyl)propyl]-2-methylquinazoline-8-carboxamide
CID 66714678
4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide
CID 66714376
4-[azetidin-2-yl-[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylquinazoline-8-carboxamide
CID 141424326
2-(2,8-dimethylquinazolin-4-yl)acetic acid
CID 105469517
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
2-benzyl-1H-benzimidazole-4-carboxamide
CID 154521483
2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 123566147
2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide
CID 63886225
1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one
CID 146879288
CID 129133768
CID 129133768
4-[[(3R,4R)-4-naphthalen-1-ylpyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 66714806

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide?
The IUPAC name of 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide (CID 141424306) is 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide.
What is the SMILES notation for 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide?
The canonical SMILES for 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide is Cc1nc(C[C@H](CC2CNC2)c2ccccc2)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide?
The InChIKey is FELVLSIQRIHETE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14-25-20(18-8-5-9-19(22(23)27)21(18)26-14)11-17(10-15-12-24-13-15)16-6-3-2-4-7-16/h2-9,15,17,24H,10-13H2,1H3,(H2,23,27)/t17-/m0/s1.
What are the key properties of 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide?
4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-(azetidin-3-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide is sourced from PubChem (CID 141424306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).