2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide

C18H17ClN4O2 — CID 68506489

IUPAC2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide
SMILESCOc1ccc(Cl)cc1CCNC(=O)c1nc(N)nc2ccccc12
InChIInChI=1S/C18H17ClN4O2/c1-25-15-7-6-12(19)10-11(15)8-9-21-17(24)16-13-4-2-3-5-14(13)22-18(20)23-16/h2-7,10H,8-9H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyHKKQUZJZHSBPLT-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.85
Rot. Bonds5

About 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide

2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide (PubChem CID 68506489) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide
PubChem CID68506489
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide
SMILESCOc1ccc(Cl)cc1CCNC(=O)c1nc(N)nc2ccccc12
InChIInChI=1S/C18H17ClN4O2/c1-25-15-7-6-12(19)10-11(15)8-9-21-17(24)16-13-4-2-3-5-14(13)22-18(20)23-16/h2-7,10H,8-9H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyHKKQUZJZHSBPLT-UHFFFAOYSA-N
XLogP2.85
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
CID 110795201
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
3-[2-(5-chloro-2-methoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 139017041
5-amino-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 20853746
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
CID 10689023
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
CID 110705099

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide (CID 68506489) is 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide is COc1ccc(Cl)cc1CCNC(=O)c1nc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide?
The InChIKey is HKKQUZJZHSBPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-25-15-7-6-12(19)10-11(15)8-9-21-17(24)16-13-4-2-3-5-14(13)22-18(20)23-16/h2-7,10H,8-9H2,1H3,(H,21,24)(H2,20,22,23).
What are the key properties of 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide?
2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide is sourced from PubChem (CID 68506489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).