6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine

C19H19N3O2 — CID 72904160

IUPAC6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine
SMILESCOc1ccc2c(c1)OCC(Cc1ccc3ncnc(N)c3c1)C2
InChIInChI=1S/C19H19N3O2/c1-23-15-4-3-14-7-13(10-24-18(14)9-15)6-12-2-5-17-16(8-12)19(20)22-11-21-17/h2-5,8-9,11,13H,6-7,10H2,1H3,(H2,20,21,22)
InChIKeyRRZODNYLQXQYMJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.01
Rot. Bonds3

About 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine

6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine (PubChem CID 72904160) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine
PubChem CID72904160
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine
SMILESCOc1ccc2c(c1)OCC(Cc1ccc3ncnc(N)c3c1)C2
InChIInChI=1S/C19H19N3O2/c1-23-15-4-3-14-7-13(10-24-18(14)9-15)6-12-2-5-17-16(8-12)19(20)22-11-21-17/h2-5,8-9,11,13H,6-7,10H2,1H3,(H2,20,21,22)
InChIKeyRRZODNYLQXQYMJ-UHFFFAOYSA-N
XLogP3.01
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine (CID 72904160) is 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine is COc1ccc2c(c1)OCC(Cc1ccc3ncnc(N)c3c1)C2.
What is the InChIKey of 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine?
The InChIKey is RRZODNYLQXQYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-15-4-3-14-7-13(10-24-18(14)9-15)6-12-2-5-17-16(8-12)19(20)22-11-21-17/h2-5,8-9,11,13H,6-7,10H2,1H3,(H2,20,21,22).
What are the key properties of 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine?
6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 72904160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).