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

C20H21ClN4O3 — CID 118710446

IUPACN-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OCC1CNCCO1
InChIInChI=1S/C20H21ClN4O3/c1-26-18-8-16-17(9-19(18)28-11-15-10-22-5-6-27-15)23-12-24-20(16)25-14-4-2-3-13(21)7-14/h2-4,7-9,12,15,22H,5-6,10-11H2,1H3,(H,23,24,25)
InChIKeyDGPMFKZMTLQZAS-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.40
Rot. Bonds6

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

N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine (PubChem CID 118710446) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
PubChem CID118710446
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OCC1CNCCO1
InChIInChI=1S/C20H21ClN4O3/c1-26-18-8-16-17(9-19(18)28-11-15-10-22-5-6-27-15)23-12-24-20(16)25-14-4-2-3-13(21)7-14/h2-4,7-9,12,15,22H,5-6,10-11H2,1H3,(H,23,24,25)
InChIKeyDGPMFKZMTLQZAS-UHFFFAOYSA-N
XLogP3.40
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.40
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
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CID 10458325
Icotinib
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine (CID 118710446) is N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine is COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OCC1CNCCO1.
What is the InChIKey of N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The InChIKey is DGPMFKZMTLQZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-26-18-8-16-17(9-19(18)28-11-15-10-22-5-6-27-15)23-12-24-20(16)25-14-4-2-3-13(21)7-14/h2-4,7-9,12,15,22H,5-6,10-11H2,1H3,(H,23,24,25).
What are the key properties of N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine has a molecular weight of 400.87 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine is sourced from PubChem (CID 118710446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).