N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide

C18H17ClN4O — CID 121377431

IUPACN-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide
SMILESCC(=O)NC(CNc1nc(Cl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17ClN4O/c1-12(24)21-16(13-7-3-2-4-8-13)11-20-17-14-9-5-6-10-15(14)22-18(19)23-17/h2-10,16H,11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyVKOZHIJVJKXNBY-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.57
Rot. Bonds5

About N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide

N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide (PubChem CID 121377431) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide
PubChem CID121377431
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide
SMILESCC(=O)NC(CNc1nc(Cl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17ClN4O/c1-12(24)21-16(13-7-3-2-4-8-13)11-20-17-14-9-5-6-10-15(14)22-18(19)23-17/h2-10,16H,11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyVKOZHIJVJKXNBY-UHFFFAOYSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
CID 113484441
4-[(2-chloroquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 66109317
N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide
CID 121377408
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
CID 62477007
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
CID 22693090
2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
CID 22693080
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
3-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid
CID 173357452

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide?
The IUPAC name of N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide (CID 121377431) is N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide.
What is the SMILES notation for N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide?
The canonical SMILES for N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide is CC(=O)NC(CNc1nc(Cl)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide?
The InChIKey is VKOZHIJVJKXNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12(24)21-16(13-7-3-2-4-8-13)11-20-17-14-9-5-6-10-15(14)22-18(19)23-17/h2-10,16H,11H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide?
N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide is sourced from PubChem (CID 121377431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).