7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one

C17H16ClN5O2 — CID 135870849

IUPAC7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C17H16ClN5O2/c18-14-9-13-15(17(24)20-10-19-13)16(22-14)21-11-1-3-12(4-2-11)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,22)(H,19,20,24)
InChIKeyAWRQXPPOAVBQBB-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.55
Rot. Bonds3

About 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one

7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135870849) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID135870849
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C17H16ClN5O2/c18-14-9-13-15(17(24)20-10-19-13)16(22-14)21-11-1-3-12(4-2-11)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,22)(H,19,20,24)
InChIKeyAWRQXPPOAVBQBB-UHFFFAOYSA-N
XLogP2.55
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870882
3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide
CID 135870890
4-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]benzonitrile
CID 135870875
2-(4-hydroxypiperidin-1-yl)-4-(4-morpholin-4-ylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494192
7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136624617
5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870859
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
4-N-(3H-benzimidazol-5-yl)-3-methylsulfanyl-6-N-(4-morpholin-4-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59591876
6-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887642

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135870849) is 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one is O=c1[nH]cnc2cc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AWRQXPPOAVBQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-14-9-13-15(17(24)20-10-19-13)16(22-14)21-11-1-3-12(4-2-11)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,22)(H,19,20,24).
What are the key properties of 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one?
7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 357.80 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135870849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).