2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine

C19H21ClN4O2 — CID 91963458

IUPAC2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
SMILESCOCCCNc1nc(Nc2cc(Cl)ccc2OC)nc2ccccc12
InChIInChI=1S/C19H21ClN4O2/c1-25-11-5-10-21-18-14-6-3-4-7-15(14)22-19(24-18)23-16-12-13(20)8-9-17(16)26-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyBBMLSGJOJHLEIN-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.48
Rot. Bonds8

About 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine

2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine (PubChem CID 91963458) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
PubChem CID91963458
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
SMILESCOCCCNc1nc(Nc2cc(Cl)ccc2OC)nc2ccccc12
InChIInChI=1S/C19H21ClN4O2/c1-25-11-5-10-21-18-14-6-3-4-7-15(14)22-19(24-18)23-16-12-13(20)8-9-17(16)26-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyBBMLSGJOJHLEIN-UHFFFAOYSA-N
XLogP4.48
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.48
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-(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
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964049
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911985
2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
CID 91963677
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
CID 52995704
3-[[4-(3-methoxypropylamino)quinazolin-2-yl]amino]benzoic acid
CID 91963329
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine (CID 91963458) is 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine is COCCCNc1nc(Nc2cc(Cl)ccc2OC)nc2ccccc12.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
The InChIKey is BBMLSGJOJHLEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-25-11-5-10-21-18-14-6-3-4-7-15(14)22-19(24-18)23-16-12-13(20)8-9-17(16)26-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine has a molecular weight of 372.86 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).