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

C23H26N4O2 — CID 50800505

IUPACN-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
SMILESCCN(C(=O)C(C)n1cnc2nc3c(cc2c1=O)CCCC3)c1cccc(C)c1
InChIInChI=1S/C23H26N4O2/c1-4-26(18-10-7-8-15(2)12-18)22(28)16(3)27-14-24-21-19(23(27)29)13-17-9-5-6-11-20(17)25-21/h7-8,10,12-14,16H,4-6,9,11H2,1-3H3
InChIKeyITFGCMLAAKPCGF-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.59
Rot. Bonds4

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

N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide (PubChem CID 50800505) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
PubChem CID50800505
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
SMILESCCN(C(=O)C(C)n1cnc2nc3c(cc2c1=O)CCCC3)c1cccc(C)c1
InChIInChI=1S/C23H26N4O2/c1-4-26(18-10-7-8-15(2)12-18)22(28)16(3)27-14-24-21-19(23(27)29)13-17-9-5-6-11-20(17)25-21/h7-8,10,12-14,16H,4-6,9,11H2,1-3H3
InChIKeyITFGCMLAAKPCGF-UHFFFAOYSA-N
XLogP3.59
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-chloro-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
CID 92892788
(2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide
CID 92875626
(2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92875580
ethyl 4-[2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanoylamino]benzoate
CID 50800491
N-(2-ethylphenyl)-N-methyl-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 22577837
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792
N-ethyl-3-methyl-N-(3-methylphenyl)-2-sulfanylbutanamide
CID 107023755
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 22577830
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
ethyl 5-[(2S)-1-(N-ethyl-3-methylanilino)-1-oxopropan-2-yl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 92875508
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
CID 25219729

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide (CID 50800505) is N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide is CCN(C(=O)C(C)n1cnc2nc3c(cc2c1=O)CCCC3)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide?
The InChIKey is ITFGCMLAAKPCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-26(18-10-7-8-15(2)12-18)22(28)16(3)27-14-24-21-19(23(27)29)13-17-9-5-6-11-20(17)25-21/h7-8,10,12-14,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide?
N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide has a molecular weight of 390.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide is sourced from PubChem (CID 50800505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).