8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine

C22H19ClN6O — CID 118163034

IUPAC8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESClc1cccc(-c2nccc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C22H19ClN6O/c23-17-3-1-2-15(12-17)20-21-16(6-7-24-20)13-26-22(28-21)27-18-4-5-19(25-14-18)29-8-10-30-11-9-29/h1-7,12-14H,8-11H2,(H,26,27,28)
InChIKeyQFQHRNWKYLKIQL-UHFFFAOYSA-N
MW418.89 g/mol
LogP4.32
Rot. Bonds4

About 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine

8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 118163034) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID118163034
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC Name8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESClc1cccc(-c2nccc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C22H19ClN6O/c23-17-3-1-2-15(12-17)20-21-16(6-7-24-20)13-26-22(28-21)27-18-4-5-19(25-14-18)29-8-10-30-11-9-29/h1-7,12-14H,8-11H2,(H,26,27,28)
InChIKeyQFQHRNWKYLKIQL-UHFFFAOYSA-N
XLogP4.32
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine with MolForge

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Related Compounds

8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118162900
8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163106
(E)-N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[3,4-d]pyrimidin-8-yl]phenyl]-2-(dimethylamino)but-2-enamide
CID 140869866
8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine
CID 118162915
N-(6-morpholin-4-yl-3-pyridinyl)-8-pyridin-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 118162872
8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163030
(E)-N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[3,4-d]pyrimidin-8-yl]phenyl]-4-(dimethylamino)but-2-enamide
CID 118162848
5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 170547346
2,6-difluoro-N-[2-fluoro-5-[2-morpholin-4-yl-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 58575912
1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol
CID 89199107
N-[5-[[8-(3-chlorophenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-2-(1-methylpyrrolidin-3-yl)oxyphenyl]prop-2-enamide
CID 122475087
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine (CID 118163034) is 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine is Clc1cccc(-c2nccc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1.
What is the InChIKey of 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is QFQHRNWKYLKIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O/c23-17-3-1-2-15(12-17)20-21-16(6-7-24-20)13-26-22(28-21)27-18-4-5-19(25-14-18)29-8-10-30-11-9-29/h1-7,12-14H,8-11H2,(H,26,27,28).
What are the key properties of 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 418.89 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 118163034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).