6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine

C21H24N4O2 — CID 3232591

IUPAC6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)c1
InChIInChI=1S/C21H24N4O2/c1-26-18-4-2-3-16(13-18)17-5-6-20-19(14-17)21(24-15-23-20)22-7-8-25-9-11-27-12-10-25/h2-6,13-15H,7-12H2,1H3,(H,22,23,24)
InChIKeyDHVJKWYKFUQEMQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.05
Rot. Bonds6

About 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine

6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (PubChem CID 3232591) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
PubChem CID3232591
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)c1
InChIInChI=1S/C21H24N4O2/c1-26-18-4-2-3-16(13-18)17-5-6-20-19(14-17)21(24-15-23-20)22-7-8-25-9-11-27-12-10-25/h2-6,13-15H,7-12H2,1H3,(H,22,23,24)
InChIKeyDHVJKWYKFUQEMQ-UHFFFAOYSA-N
XLogP3.05
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (CID 3232591) is 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The InChIKey is DHVJKWYKFUQEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-18-4-2-3-16(13-18)17-5-6-20-19(14-17)21(24-15-23-20)22-7-8-25-9-11-27-12-10-25/h2-6,13-15H,7-12H2,1H3,(H,22,23,24).
What are the key properties of 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 3232591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).