4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen

C25H30N4O3 — CID 170610449

IUPAC4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen
SMILES[H]/N=C/c1c(N)ccc2nc(-c3ccc(C(=O)NC[C@H]4CCCO4)cc3)c3c(c12)CCOC3.[H][H].[H][H]
InChIInChI=1S/C25H26N4O3.2H2/c26-12-19-21(27)7-8-22-23(19)18-9-11-31-14-20(18)24(29-22)15-3-5-16(6-4-15)25(30)28-13-17-2-1-10-32-17;;/h3-8,12,17,26H,1-2,9-11,13-14,27H2,(H,28,30);2*1H/b26-12+;;/t17-;;/m1../s1
InChIKeyWTBZUVNUYWRPHC-LBVNTSNXSA-N
MW434.54 g/mol
LogP3.96
Rot. Bonds5

About 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen

4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen (PubChem CID 170610449) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen
PubChem CID170610449
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen
SMILES[H]/N=C/c1c(N)ccc2nc(-c3ccc(C(=O)NC[C@H]4CCCO4)cc3)c3c(c12)CCOC3.[H][H].[H][H]
InChIInChI=1S/C25H26N4O3.2H2/c26-12-19-21(27)7-8-22-23(19)18-9-11-31-14-20(18)24(29-22)15-3-5-16(6-4-15)25(30)28-13-17-2-1-10-32-17;;/h3-8,12,17,26H,1-2,9-11,13-14,27H2,(H,28,30);2*1H/b26-12+;;/t17-;;/m1../s1
InChIKeyWTBZUVNUYWRPHC-LBVNTSNXSA-N
XLogP3.96
TPSA110.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen 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

4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125445329
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-[5-methyl-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92743124
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201

Frequently Asked Questions

What is the IUPAC name of 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen?
The IUPAC name of 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen (CID 170610449) is 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen.
What is the SMILES notation for 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen?
The canonical SMILES for 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen is [H]/N=C/c1c(N)ccc2nc(-c3ccc(C(=O)NC[C@H]4CCCO4)cc3)c3c(c12)CCOC3.[H][H].[H][H].
What is the InChIKey of 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen?
The InChIKey is WTBZUVNUYWRPHC-LBVNTSNXSA-N. The full InChI is InChI=1S/C25H26N4O3.2H2/c26-12-19-21(27)7-8-22-23(19)18-9-11-31-14-20(18)24(29-22)15-3-5-16(6-4-15)25(30)28-13-17-2-1-10-32-17;;/h3-8,12,17,26H,1-2,9-11,13-14,27H2,(H,28,30);2*1H/b26-12+;;/t17-;;/m1../s1.
What are the key properties of 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen?
4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen has a molecular weight of 434.54 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-amino-10-methanimidoyl-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide;molecular hydrogen is sourced from PubChem (CID 170610449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).