N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide

C24H21N3O4 — CID 24823093

IUPACN-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-21-11-19-20(12-22(21)30-2)25-13-26-24(19)31-16-8-9-17-14(10-16)4-3-5-18(17)23(28)27-15-6-7-15/h3-5,8-13,15H,6-7H2,1-2H3,(H,27,28)
InChIKeyJLBAXNKYJZOYGQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.48
Rot. Bonds6

About N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide

N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 24823093) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID24823093
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-21-11-19-20(12-22(21)30-2)25-13-26-24(19)31-16-8-9-17-14(10-16)4-3-5-18(17)23(28)27-15-6-7-15/h3-5,8-13,15H,6-7H2,1-2H3,(H,27,28)
InChIKeyJLBAXNKYJZOYGQ-UHFFFAOYSA-N
XLogP4.48
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide (CID 24823093) is N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide is COc1cc2ncnc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC.
What is the InChIKey of N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is JLBAXNKYJZOYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-21-11-19-20(12-22(21)30-2)25-13-26-24(19)31-16-8-9-17-14(10-16)4-3-5-18(17)23(28)27-15-6-7-15/h3-5,8-13,15H,6-7H2,1-2H3,(H,27,28).
What are the key properties of N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 24823093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).