2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine

C18H19ClN4O2 — CID 91964049

IUPAC2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
SMILESCOCCNc1nc(Nc2ccc(OC)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H19ClN4O2/c1-24-10-9-20-17-13-5-3-4-6-15(13)22-18(23-17)21-12-7-8-16(25-2)14(19)11-12/h3-8,11H,9-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyVNXWMIGLIJFEML-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.09
Rot. Bonds7

About 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine

2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine (PubChem CID 91964049) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
PubChem CID91964049
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
SMILESCOCCNc1nc(Nc2ccc(OC)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H19ClN4O2/c1-24-10-9-20-17-13-5-3-4-6-15(13)22-18(23-17)21-12-7-8-16(25-2)14(19)11-12/h3-8,11H,9-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyVNXWMIGLIJFEML-UHFFFAOYSA-N
XLogP4.09
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.09
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

2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964242
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91963816
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963458
2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
CID 91963677
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224
2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2973041
3-[[4-(3-methoxypropylamino)quinazolin-2-yl]amino]benzoic acid
CID 91963329
2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963837
2-N-(3-chloro-4-methylphenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963841
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
CID 71690729
2-N-(3-chloro-4-methylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861431

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine (CID 91964049) is 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine is COCCNc1nc(Nc2ccc(OC)c(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
The InChIKey is VNXWMIGLIJFEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-24-10-9-20-17-13-5-3-4-6-15(13)22-18(23-17)21-12-7-8-16(25-2)14(19)11-12/h3-8,11H,9-10H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine has a molecular weight of 358.83 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91964049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).