5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid

C19H20N4O2 — CID 58485250

IUPAC5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid
SMILESCC(C)Cc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12
InChIInChI=1S/C19H20N4O2/c1-10(2)7-16-20-9-14-13-6-3-11(19(24)25)8-15(13)22-18(17(14)23-16)21-12-4-5-12/h3,6,8-10,12H,4-5,7H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyMISCHMWGEQHOOY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.65
Rot. Bonds5

About 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid

5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid (PubChem CID 58485250) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid
PubChem CID58485250
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid
SMILESCC(C)Cc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12
InChIInChI=1S/C19H20N4O2/c1-10(2)7-16-20-9-14-13-6-3-11(19(24)25)8-15(13)22-18(17(14)23-16)21-12-4-5-12/h3,6,8-10,12H,4-5,7H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyMISCHMWGEQHOOY-UHFFFAOYSA-N
XLogP3.65
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Edatrexate
CID 6917908
Silmitasertib
CID 24748573
5-(3-Ethynylphenylamino)pyrimido(4,5-c)quinoline-8-carboxylic acid
CID 53326156
CX-5279
CID 72200387
3-(Cyclopropylamino)-5-(3-(trifluoromethyl)phenylamino)pyrimido(4,5-c)quinoline-8-carboxylic acid
CID 49779959
2-[[4-[1-(2,4-Diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid
CID 54586
2-{4-[2-(2,4-Diamino-pteridin-6-yl)-1-methyl-ethyl]-benzoylamino}-pentanedioic acid
CID 15570610
3-(Cyclopropylamino)-5-phenylpyrimido[4,5-c]quinoline-8-carboxylic acid
CID 25222170
5-[(4-Chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid
CID 50942446
Methyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
CID 1418188
3-(2-Pyridin-3-yl-quinazolin-4-ylamino)-benzoic acid methyl ester
CID 1186125
3-[(6-Methylquinazolin-4-yl)amino]benzoic acid
CID 735129

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid?
The IUPAC name of 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid (CID 58485250) is 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid?
The canonical SMILES for 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid is CC(C)Cc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12.
What is the InChIKey of 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid?
The InChIKey is MISCHMWGEQHOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-10(2)7-16-20-9-14-13-6-3-11(19(24)25)8-15(13)22-18(17(14)23-16)21-12-4-5-12/h3,6,8-10,12H,4-5,7H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid?
5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid has a molecular weight of 336.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid is sourced from PubChem (CID 58485250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).