methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate

C19H24N4O3 — CID 71292269

IUPACmethyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1C[C@H](C)O
InChIInChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)/t11-/m0/s1
InChIKeyMUXBNOKWIARUJW-NSHDSACASA-N
MW356.43 g/mol
LogP2.68
Rot. Bonds6

About methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 71292269) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID71292269
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemethyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1C[C@H](C)O
InChIInChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)/t11-/m0/s1
InChIKeyMUXBNOKWIARUJW-NSHDSACASA-N
XLogP2.68
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate (CID 71292269) is methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1C[C@H](C)O.
What is the InChIKey of methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is MUXBNOKWIARUJW-NSHDSACASA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)/t11-/m0/s1.
What are the key properties of methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 71292269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).