N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine

C23H21FN4O2 — CID 162768168

IUPACN-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2c(N(c3ccc(F)cc3)C(C)c3ccc(OC)nc3)ncnc2c1
InChIInChI=1S/C23H21FN4O2/c1-15(16-4-11-22(30-3)25-13-16)28(18-7-5-17(24)6-8-18)23-20-10-9-19(29-2)12-21(20)26-14-27-23/h4-15H,1-3H3
InChIKeySIPQRJLNYJSIEC-UHFFFAOYSA-N
MW404.45 g/mol
LogP5.08
Rot. Bonds6

About N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine

N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine (PubChem CID 162768168) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine
PubChem CID162768168
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2c(N(c3ccc(F)cc3)C(C)c3ccc(OC)nc3)ncnc2c1
InChIInChI=1S/C23H21FN4O2/c1-15(16-4-11-22(30-3)25-13-16)28(18-7-5-17(24)6-8-18)23-20-10-9-19(29-2)12-21(20)26-14-27-23/h4-15H,1-3H3
InChIKeySIPQRJLNYJSIEC-UHFFFAOYSA-N
XLogP5.08
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine with MolForge

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Related Compounds

(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methanol
CID 58882938
4-(4-fluorophenyl)-7-methoxy-3-propan-2-ylquinoline
CID 156880047
4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65337366
N-butyl-7-methoxy-N-methylquinazolin-4-amine
CID 21003105
7-fluoro-4-(4-methoxyphenyl)quinazoline
CID 132520825
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
2-(7-methoxyquinazolin-4-yl)propanoic acid
CID 105490596
1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methoxy-3-pyridinyl)ethanone
CID 86728843
(7-methoxyquinazolin-4-yl)methanamine
CID 105443558
(1S)-1-[6-(5-fluoro-2-methylphenoxy)-3-pyridinyl]ethanol
CID 102989853

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine (CID 162768168) is N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine is COc1ccc2c(N(c3ccc(F)cc3)C(C)c3ccc(OC)nc3)ncnc2c1.
What is the InChIKey of N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine?
The InChIKey is SIPQRJLNYJSIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-15(16-4-11-22(30-3)25-13-16)28(18-7-5-17(24)6-8-18)23-20-10-9-19(29-2)12-21(20)26-14-27-23/h4-15H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine?
N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine has a molecular weight of 404.45 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-methoxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 162768168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).