6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide

C27H21FN4O3 — CID 59813851

IUPAC6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide
SMILESCOc1cc2ncnc(Nc3ccc4c(C(=O)Nc5ccc(F)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21FN4O3/c1-34-24-13-22-23(14-25(24)35-2)29-15-30-26(22)31-19-10-11-20-16(12-19)4-3-5-21(20)27(33)32-18-8-6-17(28)7-9-18/h3-15H,1-2H3,(H,32,33)(H,29,30,31)
InChIKeyKHNIIRIDZMPIGY-UHFFFAOYSA-N
MW468.49 g/mol
LogP5.94
Rot. Bonds6

About 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide

6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide (PubChem CID 59813851) has the molecular formula C27H21FN4O3 and a molecular weight of 468.49 g/mol. Its IUPAC name is 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide
PubChem CID59813851
Molecular FormulaC27H21FN4O3
Molecular Weight468.49 g/mol
Exact Mass468.16
IUPAC Name6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide
SMILESCOc1cc2ncnc(Nc3ccc4c(C(=O)Nc5ccc(F)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21FN4O3/c1-34-24-13-22-23(14-25(24)35-2)29-15-30-26(22)31-19-10-11-20-16(12-19)4-3-5-21(20)27(33)32-18-8-6-17(28)7-9-18/h3-15H,1-2H3,(H,32,33)(H,29,30,31)
InChIKeyKHNIIRIDZMPIGY-UHFFFAOYSA-N
XLogP5.94
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.49
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 163360022
4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 22732246
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 139236753
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(4-fluorophenyl)-6-hydroxynaphthalene-1-carboxamide
CID 171383627
2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 163359995
[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl] acetate
CID 155004316

Frequently Asked Questions

What is the IUPAC name of 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide (CID 59813851) is 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide is COc1cc2ncnc(Nc3ccc4c(C(=O)Nc5ccc(F)cc5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide?
The InChIKey is KHNIIRIDZMPIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O3/c1-34-24-13-22-23(14-25(24)35-2)29-15-30-26(22)31-19-10-11-20-16(12-19)4-3-5-21(20)27(33)32-18-8-6-17(28)7-9-18/h3-15H,1-2H3,(H,32,33)(H,29,30,31).
What are the key properties of 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide?
6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide has a molecular weight of 468.49 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 59813851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).