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

C20H19BrN4O2 — CID 22577830

IUPACN-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C20H19BrN4O2/c1-12-8-14(21)6-7-16(12)23-18(26)10-25-11-22-19-15(20(25)27)9-13-4-2-3-5-17(13)24-19/h6-9,11H,2-5,10H2,1H3,(H,23,26)
InChIKeyNFDHFUMQUNBIEB-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.38
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide (PubChem CID 22577830) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
PubChem CID22577830
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C20H19BrN4O2/c1-12-8-14(21)6-7-16(12)23-18(26)10-25-11-22-19-15(20(25)27)9-13-4-2-3-5-17(13)24-19/h6-9,11H,2-5,10H2,1H3,(H,23,26)
InChIKeyNFDHFUMQUNBIEB-UHFFFAOYSA-N
XLogP3.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(3-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800523
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976
2-(7-oxo-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1,3(8),4,9-tetraen-6-yl)acetic acid
CID 53213449
N-(3-chloro-4-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 22577823
2-(10-oxo-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7,12-tetraen-11-yl)acetic acid
CID 53213448
N-[(2-methoxyphenyl)methyl]-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800496
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 22334914
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
N-(4-bromo-2-fluorophenyl)-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 46290304
N-(2-ethylphenyl)-N-methyl-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 22577837
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165544

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide (CID 22577830) is N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide is Cc1cc(Br)ccc1NC(=O)Cn1cnc2nc3c(cc2c1=O)CCCC3.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide?
The InChIKey is NFDHFUMQUNBIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c1-12-8-14(21)6-7-16(12)23-18(26)10-25-11-22-19-15(20(25)27)9-13-4-2-3-5-17(13)24-19/h6-9,11H,2-5,10H2,1H3,(H,23,26).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide has a molecular weight of 427.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide is sourced from PubChem (CID 22577830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).