3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one

C24H30N4O2 — CID 11509710

IUPAC3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cncc2c(=O)n(C)c(-c3ccc(OCCCN4CCC[C@H](C)C4)cc3)nc12
InChIInChI=1S/C24H30N4O2/c1-17-6-4-11-28(16-17)12-5-13-30-20-9-7-19(8-10-20)23-26-22-18(2)14-25-15-21(22)24(29)27(23)3/h7-10,14-15,17H,4-6,11-13,16H2,1-3H3/t17-/m0/s1
InChIKeyBLOWFUFUMSXQHM-KRWDZBQOSA-N
MW406.53 g/mol
LogP3.80
Rot. Bonds6

About 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one

3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 11509710) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID11509710
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cncc2c(=O)n(C)c(-c3ccc(OCCCN4CCC[C@H](C)C4)cc3)nc12
InChIInChI=1S/C24H30N4O2/c1-17-6-4-11-28(16-17)12-5-13-30-20-9-7-19(8-10-20)23-26-22-18(2)14-25-15-21(22)24(29)27(23)3/h7-10,14-15,17H,4-6,11-13,16H2,1-3H3/t17-/m0/s1
InChIKeyBLOWFUFUMSXQHM-KRWDZBQOSA-N
XLogP3.80
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 11494881
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11545644
1-ethyl-5-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67282721
1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67281880
3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one
CID 11617527
2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one
CID 11524620
4-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-oxidopyridin-1-ium
CID 23150293
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-1-oxidopyridin-1-ium;molecular chlorine
CID 159763273
3-methyl-1-[3-(3-methyl-4-nitrophenoxy)propyl]piperidine
CID 2935046

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 11509710) is 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one is Cc1cncc2c(=O)n(C)c(-c3ccc(OCCCN4CCC[C@H](C)C4)cc3)nc12.
What is the InChIKey of 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BLOWFUFUMSXQHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17-6-4-11-28(16-17)12-5-13-30-20-9-7-19(8-10-20)23-26-22-18(2)14-25-15-21(22)24(29)27(23)3/h7-10,14-15,17H,4-6,11-13,16H2,1-3H3/t17-/m0/s1.
What are the key properties of 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one?
3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 406.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 11509710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).