N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide

C23H23N5O3 — CID 118339819

IUPACN-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2c(C(=O)N[C@H](CO)Cc3cnc[nH]3)cccc12
InChIInChI=1S/C23H23N5O3/c1-14-5-6-17(30)10-21(14)28-20-7-8-25-22-18(20)3-2-4-19(22)23(31)27-16(12-29)9-15-11-24-13-26-15/h2-8,10-11,13,16,29-30H,9,12H2,1H3,(H,24,26)(H,25,28)(H,27,31)/t16-/m0/s1
InChIKeyHYZSAMPYKIVVQG-INIZCTEOSA-N
MW417.47 g/mol
LogP3.05
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide

N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide (PubChem CID 118339819) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide
PubChem CID118339819
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2c(C(=O)N[C@H](CO)Cc3cnc[nH]3)cccc12
InChIInChI=1S/C23H23N5O3/c1-14-5-6-17(30)10-21(14)28-20-7-8-25-22-18(20)3-2-4-19(22)23(31)27-16(12-29)9-15-11-24-13-26-15/h2-8,10-11,13,16,29-30H,9,12H2,1H3,(H,24,26)(H,25,28)(H,27,31)/t16-/m0/s1
InChIKeyHYZSAMPYKIVVQG-INIZCTEOSA-N
XLogP3.05
TPSA123.16 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide (CID 118339819) is N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide is Cc1ccc(O)cc1Nc1ccnc2c(C(=O)N[C@H](CO)Cc3cnc[nH]3)cccc12.
What is the InChIKey of N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide?
The InChIKey is HYZSAMPYKIVVQG-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14-5-6-17(30)10-21(14)28-20-7-8-25-22-18(20)3-2-4-19(22)23(31)27-16(12-29)9-15-11-24-13-26-15/h2-8,10-11,13,16,29-30H,9,12H2,1H3,(H,24,26)(H,25,28)(H,27,31)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide?
N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide is sourced from PubChem (CID 118339819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).