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

C18H24N4O3 — CID 92875558

IUPACN-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide
SMILESCOCCCNC(=O)Cn1cnc2nc3c(cc2c1=O)C[C@H](C)CC3
InChIInChI=1S/C18H24N4O3/c1-12-4-5-15-13(8-12)9-14-17(21-15)20-11-22(18(14)24)10-16(23)19-6-3-7-25-2/h9,11-12H,3-8,10H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyHEEOYLCQKJOORP-GFCCVEGCSA-N
MW344.42 g/mol
LogP1.07
Rot. Bonds6

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

N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide (PubChem CID 92875558) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide
PubChem CID92875558
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide
SMILESCOCCCNC(=O)Cn1cnc2nc3c(cc2c1=O)C[C@H](C)CC3
InChIInChI=1S/C18H24N4O3/c1-12-4-5-15-13(8-12)9-14-17(21-15)20-11-22(18(14)24)10-16(23)19-6-3-7-25-2/h9,11-12H,3-8,10H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyHEEOYLCQKJOORP-GFCCVEGCSA-N
XLogP1.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[(7S)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide
CID 92892750
2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 92875714
7-methyl-3-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 50800531
7-methyl-3-[(2,4,6-trimethylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 46353130
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114585479
3-[(7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)methyl]benzonitrile
CID 46353131
N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 8521152
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 22334914
N-[(2-methoxyphenyl)methyl]-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800496
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114583701
7-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 46353125
2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 46606331

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide (CID 92875558) is N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide is COCCCNC(=O)Cn1cnc2nc3c(cc2c1=O)C[C@H](C)CC3.
What is the InChIKey of N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide?
The InChIKey is HEEOYLCQKJOORP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-4-5-15-13(8-12)9-14-17(21-15)20-11-22(18(14)24)10-16(23)19-6-3-7-25-2/h9,11-12H,3-8,10H2,1-2H3,(H,19,23)/t12-/m1/s1.
What are the key properties of N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide?
N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide is sourced from PubChem (CID 92875558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).