N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

C23H18N4O — CID 8567794

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESC[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C23H18N4O/c1-15(21-13-16-7-2-5-11-20(16)28-21)25-23-18-9-3-4-10-19(18)26-22(27-23)17-8-6-12-24-14-17/h2-15H,1H3,(H,25,26,27)/t15-/m0/s1
InChIKeyAHAIMRVIQOEGEQ-HNNXBMFYSA-N
MW366.42 g/mol
LogP5.61
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 8567794) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID8567794
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESC[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C23H18N4O/c1-15(21-13-16-7-2-5-11-20(16)28-21)25-23-18-9-3-4-10-19(18)26-22(27-23)17-8-6-12-24-14-17/h2-15H,1H3,(H,25,26,27)/t15-/m0/s1
InChIKeyAHAIMRVIQOEGEQ-HNNXBMFYSA-N
XLogP5.61
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine
CID 56553921
2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508299
6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine
CID 89347971
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133365280
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 133293050
2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine
CID 95135430
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 8567794) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is C[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is AHAIMRVIQOEGEQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-15(21-13-16-7-2-5-11-20(16)28-21)25-23-18-9-3-4-10-19(18)26-22(27-23)17-8-6-12-24-14-17/h2-15H,1H3,(H,25,26,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 366.42 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 8567794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).