N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide

C30H24N6O — CID 121377274

IUPACN-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CNc1nc(-c2ccc3nccn3c2)nc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N6O/c37-30(22-11-5-2-6-12-22)34-26(21-9-3-1-4-10-21)19-32-29-24-13-7-8-14-25(24)33-28(35-29)23-15-16-27-31-17-18-36(27)20-23/h1-18,20,26H,19H2,(H,34,37)(H,32,33,35)/t26-/m1/s1
InChIKeyJWHYKUHFVSBACP-AREMUKBSSA-N
MW484.56 g/mol
LogP5.53
Rot. Bonds7

About N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide

N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide (PubChem CID 121377274) has the molecular formula C30H24N6O and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide
PubChem CID121377274
Molecular FormulaC30H24N6O
Molecular Weight484.56 g/mol
Exact Mass484.20
IUPAC NameN-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CNc1nc(-c2ccc3nccn3c2)nc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N6O/c37-30(22-11-5-2-6-12-22)34-26(21-9-3-1-4-10-21)19-32-29-24-13-7-8-14-25(24)33-28(35-29)23-15-16-27-31-17-18-36(27)20-23/h1-18,20,26H,19H2,(H,34,37)(H,32,33,35)/t26-/m1/s1
InChIKeyJWHYKUHFVSBACP-AREMUKBSSA-N
XLogP5.53
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide with MolForge

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Related Compounds

N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide
CID 121377408
2-imidazo[1,2-a]pyrimidin-6-yl-N-(2-phenyl-2-pyridin-4-ylethyl)quinazolin-4-amine
CID 121377359
N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride
CID 121377347
N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide
CID 121377431
N-[4-[4-[(2-phenyl-2-pyrimidin-2-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378089
2-[(2-phenylquinazolin-4-yl)amino]acetate
CID 4053821
N-[2-benzamido-2-(4-phenylphenyl)ethyl]benzamide
CID 139256665
methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
CID 96559511
4-imidazo[1,2-a]pyridin-6-ylbenzoic acid
CID 82063340
imidazo[1,2-a]pyridin-2-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7151780
imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7151779
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide (CID 121377274) is N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide is O=C(N[C@H](CNc1nc(-c2ccc3nccn3c2)nc2ccccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide?
The InChIKey is JWHYKUHFVSBACP-AREMUKBSSA-N. The full InChI is InChI=1S/C30H24N6O/c37-30(22-11-5-2-6-12-22)34-26(21-9-3-1-4-10-21)19-32-29-24-13-7-8-14-25(24)33-28(35-29)23-15-16-27-31-17-18-36(27)20-23/h1-18,20,26H,19H2,(H,34,37)(H,32,33,35)/t26-/m1/s1.
What are the key properties of N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide?
N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide has a molecular weight of 484.56 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide is sourced from PubChem (CID 121377274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).