N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine

C30H20ClFN4O — CID 71662068

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ncnc4ccc(-c5cccc6ncccc56)cc34)cc2Cl)c1
InChIInChI=1S/C30H20ClFN4O/c31-26-16-22(10-12-29(26)37-17-19-4-1-5-21(32)14-19)36-30-25-15-20(9-11-28(25)34-18-35-30)23-6-2-8-27-24(23)7-3-13-33-27/h1-16,18H,17H2,(H,34,35,36)
InChIKeyQGRHNKSGFAAOMB-UHFFFAOYSA-N
MW506.97 g/mol
LogP7.96
Rot. Bonds6

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine (PubChem CID 71662068) has the molecular formula C30H20ClFN4O and a molecular weight of 506.97 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine
PubChem CID71662068
Molecular FormulaC30H20ClFN4O
Molecular Weight506.97 g/mol
Exact Mass506.13
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ncnc4ccc(-c5cccc6ncccc56)cc34)cc2Cl)c1
InChIInChI=1S/C30H20ClFN4O/c31-26-16-22(10-12-29(26)37-17-19-4-1-5-21(32)14-19)36-30-25-15-20(9-11-28(25)34-18-35-30)23-6-2-8-27-24(23)7-3-13-33-27/h1-16,18H,17H2,(H,34,35,36)
InChIKeyQGRHNKSGFAAOMB-UHFFFAOYSA-N
XLogP7.96
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.97
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 71662570
[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]boronic acid
CID 21071164
4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-(2,3-dihydro-1H-pyrrol-5-yl)quinazoline-4,6-diamine
CID 141281338
2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]acetic acid
CID 141203089
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-amine
CID 71662405
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(cyclopropylmethyl)pyrrol-3-yl]quinazolin-4-amine
CID 141179829
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
CID 71663312
3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-yn-1-ol
CID 67504239
1-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]prop-2-en-1-ol
CID 130348270
4-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]hydrazinyl]quinazolin-6-amine
CID 141177104
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-2-pyridinyl)quinazolin-4-amine
CID 132561244

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine (CID 71662068) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine is Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5cccc6ncccc56)cc34)cc2Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine?
The InChIKey is QGRHNKSGFAAOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClFN4O/c31-26-16-22(10-12-29(26)37-17-19-4-1-5-21(32)14-19)36-30-25-15-20(9-11-28(25)34-18-35-30)23-6-2-8-27-24(23)7-3-13-33-27/h1-16,18H,17H2,(H,34,35,36).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine has a molecular weight of 506.97 g/mol, XLogP of 7.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine is sourced from PubChem (CID 71662068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).