(2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide

C18H24N4O2 — CID 92875626

IUPAC(2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)n1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C18H24N4O2/c1-3-9-19-17(23)15(4-2)22-11-20-16-13(18(22)24)10-12-7-5-6-8-14(12)21-16/h10-11,15H,3-9H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyLHUMOEDLXAIATG-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.15
Rot. Bonds5

About (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide

(2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide (PubChem CID 92875626) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide
PubChem CID92875626
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)n1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C18H24N4O2/c1-3-9-19-17(23)15(4-2)22-11-20-16-13(18(22)24)10-12-7-5-6-8-14(12)21-16/h10-11,15H,3-9H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyLHUMOEDLXAIATG-OAHLLOKOSA-N
XLogP2.15
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide?
The IUPAC name of (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide (CID 92875626) is (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide.
What is the SMILES notation for (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide?
The canonical SMILES for (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide is CCCNC(=O)[C@@H](CC)n1cnc2nc3c(cc2c1=O)CCCC3.
What is the InChIKey of (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide?
The InChIKey is LHUMOEDLXAIATG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-9-19-17(23)15(4-2)22-11-20-16-13(18(22)24)10-12-7-5-6-8-14(12)21-16/h10-11,15H,3-9H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide?
(2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide has a molecular weight of 328.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide is sourced from PubChem (CID 92875626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).