N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide

C25H28N4O2 — CID 59424185

IUPACN-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide
SMILESCCNc1ncc2c(n1)CCC(CNC(=O)c1ccccc1OC)(c1ccccc1)C2
InChIInChI=1S/C25H28N4O2/c1-3-26-24-27-16-18-15-25(14-13-21(18)29-24,19-9-5-4-6-10-19)17-28-23(30)20-11-7-8-12-22(20)31-2/h4-12,16H,3,13-15,17H2,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyYSDBWTAZNYAKGP-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.77
Rot. Bonds7

About N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide

N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide (PubChem CID 59424185) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide
PubChem CID59424185
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide
SMILESCCNc1ncc2c(n1)CCC(CNC(=O)c1ccccc1OC)(c1ccccc1)C2
InChIInChI=1S/C25H28N4O2/c1-3-26-24-27-16-18-15-25(14-13-21(18)29-24,19-9-5-4-6-10-19)17-28-23(30)20-11-7-8-12-22(20)31-2/h4-12,16H,3,13-15,17H2,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyYSDBWTAZNYAKGP-UHFFFAOYSA-N
XLogP3.77
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
(E)-1-chloroprop-1-en-1-amine;2-methoxy-N-[(5-phenyl-1,4,6,7-tetrahydroindazol-5-yl)methyl]benzamide;(Z)-prop-1-en-1-amine
CID 143131397
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
N-[[4-[2-[(5-bromopyrimidin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842646
2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873385
N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842327
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline
CID 142271382
N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 69415673
2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
CID 70829537

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide (CID 59424185) is N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide is CCNc1ncc2c(n1)CCC(CNC(=O)c1ccccc1OC)(c1ccccc1)C2.
What is the InChIKey of N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide?
The InChIKey is YSDBWTAZNYAKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-26-24-27-16-18-15-25(14-13-21(18)29-24,19-9-5-4-6-10-19)17-28-23(30)20-11-7-8-12-22(20)31-2/h4-12,16H,3,13-15,17H2,1-2H3,(H,28,30)(H,26,27,29).
What are the key properties of N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide?
N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide has a molecular weight of 416.53 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylamino)-6-phenyl-7,8-dihydro-5H-quinazolin-6-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 59424185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).