N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide

C32H37N5O3 — CID 142230887

IUPACN-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(CNc3nc(N(C)C)c4ccccc4n3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C32H37N5O3/c1-37(2)30-26-11-7-8-12-27(26)35-32(36-30)33-20-22-13-16-25(17-14-22)34-31(38)24-15-18-28(39-3)29(19-24)40-21-23-9-5-4-6-10-23/h4-12,15,18-19,22,25H,13-14,16-17,20-21H2,1-3H3,(H,34,38)(H,33,35,36)
InChIKeyBCLLXIFZHYXICP-UHFFFAOYSA-N
MW539.68 g/mol
LogP5.68
Rot. Bonds10

About N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide

N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide (PubChem CID 142230887) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide
PubChem CID142230887
Molecular FormulaC32H37N5O3
Molecular Weight539.68 g/mol
Exact Mass539.29
IUPAC NameN-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(CNc3nc(N(C)C)c4ccccc4n3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C32H37N5O3/c1-37(2)30-26-11-7-8-12-27(26)35-32(36-30)33-20-22-13-16-25(17-14-22)34-31(38)24-15-18-28(39-3)29(19-24)40-21-23-9-5-4-6-10-23/h4-12,15,18-19,22,25H,13-14,16-17,20-21H2,1-3H3,(H,34,38)(H,33,35,36)
InChIKeyBCLLXIFZHYXICP-UHFFFAOYSA-N
XLogP5.68
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide with MolForge

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Related Compounds

4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 68850271
N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide
CID 142228752
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-hydroxy-3-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 157166205
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239
3-(2-chlorophenyl)-N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 142229855
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 162306900
5-(4-chlorophenyl)-N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-2-(trifluoromethyl)furan-3-carboxamide
CID 142229593
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane
CID 157175522
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 162311266
3,4-dichloro-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 23026897
3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol
CID 70995703

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide?
The IUPAC name of N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide (CID 142230887) is N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide?
The canonical SMILES for N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide is COc1ccc(C(=O)NC2CCC(CNc3nc(N(C)C)c4ccccc4n3)CC2)cc1OCc1ccccc1.
What is the InChIKey of N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide?
The InChIKey is BCLLXIFZHYXICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3/c1-37(2)30-26-11-7-8-12-27(26)35-32(36-30)33-20-22-13-16-25(17-14-22)34-31(38)24-15-18-28(39-3)29(19-24)40-21-23-9-5-4-6-10-23/h4-12,15,18-19,22,25H,13-14,16-17,20-21H2,1-3H3,(H,34,38)(H,33,35,36).
What are the key properties of N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide?
N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide has a molecular weight of 539.68 g/mol, XLogP of 5.68, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide is sourced from PubChem (CID 142230887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).