2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one

C26H19F2N5O2 — CID 155674856

IUPAC2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(OC(F)F)cc2)c2nc(NC3CC3)ncc2cn1-c1ccc2ncccc2c1
InChIInChI=1S/C26H19F2N5O2/c27-25(28)35-20-8-3-15(4-9-20)22-23-17(13-30-26(32-23)31-18-5-6-18)14-33(24(22)34)19-7-10-21-16(12-19)2-1-11-29-21/h1-4,7-14,18,25H,5-6H2,(H,31,32)
InChIKeyWOWLLLVNNKXEOV-UHFFFAOYSA-N
MW471.47 g/mol
LogP5.17
Rot. Bonds6

About 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one

2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one (PubChem CID 155674856) has the molecular formula C26H19F2N5O2 and a molecular weight of 471.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one
PubChem CID155674856
Molecular FormulaC26H19F2N5O2
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC Name2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(OC(F)F)cc2)c2nc(NC3CC3)ncc2cn1-c1ccc2ncccc2c1
InChIInChI=1S/C26H19F2N5O2/c27-25(28)35-20-8-3-15(4-9-20)22-23-17(13-30-26(32-23)31-18-5-6-18)14-33(24(22)34)19-7-10-21-16(12-19)2-1-11-29-21/h1-4,7-14,18,25H,5-6H2,(H,31,32)
InChIKeyWOWLLLVNNKXEOV-UHFFFAOYSA-N
XLogP5.17
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139552393
8-(4-methoxyphenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139552088
8-[4-(difluoromethoxy)phenyl]-6-(1-methyl-6-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 155674820
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one
CID 165391315
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]pteridin-7-one
CID 172703021
6-[4-amino-3-(methyliminomethyl)phenyl]-8-[4-(1,1-difluoroethoxy)phenyl]-2-(ethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139552360
6-(1,3-benzothiazol-6-yl)-8-(4-cyclopropylphenyl)-2-(2,2-difluoropropylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139552354
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one
CID 175384375
5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 46239582
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-[2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pteridin-7-one
CID 172710918
5-[4-(difluoromethoxy)phenyl]-7-quinolin-6-yl-3-(trifluoromethyl)-5H-1,7-naphthyridine-6,8-dione
CID 177182199
cis-(1S,3R)-3-N-(3-quinolin-6-yltriazolo[4,5-d]pyrimidin-5-yl)cyclopentane-1,3-diamine
CID 86279044

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one (CID 155674856) is 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one is O=c1c(-c2ccc(OC(F)F)cc2)c2nc(NC3CC3)ncc2cn1-c1ccc2ncccc2c1.
What is the InChIKey of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one?
The InChIKey is WOWLLLVNNKXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O2/c27-25(28)35-20-8-3-15(4-9-20)22-23-17(13-30-26(32-23)31-18-5-6-18)14-33(24(22)34)19-7-10-21-16(12-19)2-1-11-29-21/h1-4,7-14,18,25H,5-6H2,(H,31,32).
What are the key properties of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one?
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one has a molecular weight of 471.47 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 155674856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).