propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

C22H31N5O4 — CID 75965171

IUPACpropan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-n3cnc(CNCCO)c3)cc2C(NC(=O)OC(C)C)CC1C
InChIInChI=1S/C22H31N5O4/c1-14(2)31-22(30)25-20-9-15(3)27(16(4)29)21-6-5-18(10-19(20)21)26-12-17(24-13-26)11-23-7-8-28/h5-6,10,12-15,20,23,28H,7-9,11H2,1-4H3,(H,25,30)
InChIKeyZPBDPSOFGWYOFX-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.28
Rot. Bonds7

About propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 75965171) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID75965171
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Namepropan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-n3cnc(CNCCO)c3)cc2C(NC(=O)OC(C)C)CC1C
InChIInChI=1S/C22H31N5O4/c1-14(2)31-22(30)25-20-9-15(3)27(16(4)29)21-6-5-18(10-19(20)21)26-12-17(24-13-26)11-23-7-8-28/h5-6,10,12-15,20,23,28H,7-9,11H2,1-4H3,(H,25,30)
InChIKeyZPBDPSOFGWYOFX-UHFFFAOYSA-N
XLogP2.28
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate 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

propan-2-yl N-[1-acetyl-6-[4-(hydroxymethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 77420025
2-[4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]imidazol-1-yl]acetic acid
CID 52934562
propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 123333686
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 52935022
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
CID 52935667
4-[(2R,4S)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 52935882
tert-butyl 4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]imidazole-1-carboxylate
CID 52934788
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141767
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-[6-(methylamino)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
CID 140591791
propan-2-yl N-[1-acetyl-6-[1-(2-aminoethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 75964764
2-[4-[(2R,4S)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]acetate
CID 140591772
propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 52933389

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 75965171) is propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-n3cnc(CNCCO)c3)cc2C(NC(=O)OC(C)C)CC1C.
What is the InChIKey of propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is ZPBDPSOFGWYOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-14(2)31-22(30)25-20-9-15(3)27(16(4)29)21-6-5-18(10-19(20)21)26-12-17(24-13-26)11-23-7-8-28/h5-6,10,12-15,20,23,28H,7-9,11H2,1-4H3,(H,25,30).
What are the key properties of propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 429.52 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 75965171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).