N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine

C21H23ClN4O3 — CID 70946730

IUPACN-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCC1CNCCO1
InChIInChI=1S/C21H23ClN4O3/c1-13-3-4-14(7-17(13)22)26-21-16-8-19(27-2)20(9-18(16)24-12-25-21)29-11-15-10-23-5-6-28-15/h3-4,7-9,12,15,23H,5-6,10-11H2,1-2H3,(H,24,25,26)
InChIKeyJEOWLIZJAIVOKN-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.71
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine

N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine (PubChem CID 70946730) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
PubChem CID70946730
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCC1CNCCO1
InChIInChI=1S/C21H23ClN4O3/c1-13-3-4-14(7-17(13)22)26-21-16-8-19(27-2)20(9-18(16)24-12-25-21)29-11-15-10-23-5-6-28-15/h3-4,7-9,12,15,23H,5-6,10-11H2,1-2H3,(H,24,25,26)
InChIKeyJEOWLIZJAIVOKN-UHFFFAOYSA-N
XLogP3.71
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Sapitinib
CID 11488320
Tandutinib
CID 3038522
N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-(((3aR,6aS)-2-methyloctahydrocyclopenta(c)pyrrol-5-yl)methoxy)-4-quinazolinamine
CID 10458325
Icotinib
CID 22024915
Poziotinib
CID 25127713
Krn-633
CID 9549295
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride
CID 3035187

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine (CID 70946730) is N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine is COc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCC1CNCCO1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The InChIKey is JEOWLIZJAIVOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-13-3-4-14(7-17(13)22)26-21-16-8-19(27-2)20(9-18(16)24-12-25-21)29-11-15-10-23-5-6-28-15/h3-4,7-9,12,15,23H,5-6,10-11H2,1-2H3,(H,24,25,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine has a molecular weight of 414.89 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine is sourced from PubChem (CID 70946730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).