6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one

C27H31N5O3 — CID 57391292

IUPAC6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc2cccc(Oc3ccc4nc(C)n(C[C@H]5CCCN(C(C)C)C5)c(=O)c4n3)c2n1
InChIInChI=1S/C27H31N5O3/c1-17(2)31-14-6-7-19(15-31)16-32-18(3)28-21-11-13-24(30-26(21)27(32)33)35-22-9-5-8-20-10-12-23(34-4)29-25(20)22/h5,8-13,17,19H,6-7,14-16H2,1-4H3/t19-/m0/s1
InChIKeyCZCNIZFMOBPOKU-IBGZPJMESA-N
MW473.58 g/mol
LogP4.57
Rot. Bonds6

About 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one

6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 57391292) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID57391292
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc2cccc(Oc3ccc4nc(C)n(C[C@H]5CCCN(C(C)C)C5)c(=O)c4n3)c2n1
InChIInChI=1S/C27H31N5O3/c1-17(2)31-14-6-7-19(15-31)16-32-18(3)28-21-11-13-24(30-26(21)27(32)33)35-22-9-5-8-20-10-12-23(34-4)29-25(20)22/h5,8-13,17,19H,6-7,14-16H2,1-4H3/t19-/m0/s1
InChIKeyCZCNIZFMOBPOKU-IBGZPJMESA-N
XLogP4.57
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one (CID 57391292) is 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one is COc1ccc2cccc(Oc3ccc4nc(C)n(C[C@H]5CCCN(C(C)C)C5)c(=O)c4n3)c2n1.
What is the InChIKey of 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is CZCNIZFMOBPOKU-IBGZPJMESA-N. The full InChI is InChI=1S/C27H31N5O3/c1-17(2)31-14-6-7-19(15-31)16-32-18(3)28-21-11-13-24(30-26(21)27(32)33)35-22-9-5-8-20-10-12-23(34-4)29-25(20)22/h5,8-13,17,19H,6-7,14-16H2,1-4H3/t19-/m0/s1.
What are the key properties of 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 473.58 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 57391292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).