2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine

C18H19ClN4O — CID 91963152

IUPAC2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
SMILESCOCCCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C18H19ClN4O/c1-24-12-4-11-20-17-15-5-2-3-6-16(15)22-18(23-17)21-14-9-7-13(19)8-10-14/h2-3,5-10H,4,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyXRUZNVKUGFMJPB-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.48
Rot. Bonds7

About 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine

2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine (PubChem CID 91963152) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
PubChem CID91963152
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
SMILESCOCCCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C18H19ClN4O/c1-24-12-4-11-20-17-15-5-2-3-6-16(15)22-18(23-17)21-14-9-7-13(19)8-10-14/h2-3,5-10H,4,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyXRUZNVKUGFMJPB-UHFFFAOYSA-N
XLogP4.48
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963458
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91963816
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224
3-[[4-(3-methoxypropylamino)quinazolin-2-yl]amino]benzoic acid
CID 91963329
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964049
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
CID 50945420
2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964242
2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
CID 164613491

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine (CID 91963152) is 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine is COCCCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
The InChIKey is XRUZNVKUGFMJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-24-12-4-11-20-17-15-5-2-3-6-16(15)22-18(23-17)21-14-9-7-13(19)8-10-14/h2-3,5-10H,4,11-12H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine has a molecular weight of 342.83 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).