6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid

C16H20ClN3O4 — CID 22693111

IUPAC6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
SMILESCOc1cc2nc(Cl)nc(NCCCCCC(=O)O)c2cc1OC
InChIInChI=1S/C16H20ClN3O4/c1-23-12-8-10-11(9-13(12)24-2)19-16(17)20-15(10)18-7-5-3-4-6-14(21)22/h8-9H,3-7H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyUDUCVEJRHCPQMO-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.36
Rot. Bonds9

About 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid

6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid (PubChem CID 22693111) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
PubChem CID22693111
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
SMILESCOc1cc2nc(Cl)nc(NCCCCCC(=O)O)c2cc1OC
InChIInChI=1S/C16H20ClN3O4/c1-23-12-8-10-11(9-13(12)24-2)19-16(17)20-15(10)18-7-5-3-4-6-14(21)22/h8-9H,3-7H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyUDUCVEJRHCPQMO-UHFFFAOYSA-N
XLogP3.36
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 22692934
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
CID 171562086
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
2-(butylamino)-4-chloro-6,7-dimethoxyquinoline-3-carboxylic acid
CID 151134940
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoic acid
CID 21003748
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylbenzoic acid
CID 22692970
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
CID 22693097
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid?
The IUPAC name of 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid (CID 22693111) is 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid is COc1cc2nc(Cl)nc(NCCCCCC(=O)O)c2cc1OC.
What is the InChIKey of 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid?
The InChIKey is UDUCVEJRHCPQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-23-12-8-10-11(9-13(12)24-2)19-16(17)20-15(10)18-7-5-3-4-6-14(21)22/h8-9H,3-7H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid?
6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid has a molecular weight of 353.81 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 22693111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).