2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine

C23H27N3O5 — CID 169133002

IUPAC2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C3CC3)nc(NCc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C23H27N3O5/c1-27-17-10-15-16(11-18(17)28-2)25-22(14-6-7-14)26-23(15)24-12-13-8-19(29-3)21(31-5)20(9-13)30-4/h8-11,14H,6-7,12H2,1-5H3,(H,24,25,26)
InChIKeyQYBNFFGQJWSZPL-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.16
Rot. Bonds9

About 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine

2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 169133002) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID169133002
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C3CC3)nc(NCc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C23H27N3O5/c1-27-17-10-15-16(11-18(17)28-2)25-22(14-6-7-14)26-23(15)24-12-13-8-19(29-3)21(31-5)20(9-13)30-4/h8-11,14H,6-7,12H2,1-5H3,(H,24,25,26)
InChIKeyQYBNFFGQJWSZPL-UHFFFAOYSA-N
XLogP4.16
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine (CID 169133002) is 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine is COc1cc2nc(C3CC3)nc(NCc3cc(OC)c(OC)c(OC)c3)c2cc1OC.
What is the InChIKey of 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is QYBNFFGQJWSZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-27-17-10-15-16(11-18(17)28-2)25-22(14-6-7-14)26-23(15)24-12-13-8-19(29-3)21(31-5)20(9-13)30-4/h8-11,14H,6-7,12H2,1-5H3,(H,24,25,26).
What are the key properties of 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 425.49 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 169133002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).