N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide

C23H26N4O2 — CID 71842381

IUPACN-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2ncnc(N3CCCCC3)c2c1
InChIInChI=1S/C23H26N4O2/c1-2-29-21-9-5-4-8-18(21)15-24-23(28)17-10-11-20-19(14-17)22(26-16-25-20)27-12-6-3-7-13-27/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,24,28)
InChIKeyMDSVSRZDGKWDMU-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.95
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide

N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide (PubChem CID 71842381) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
PubChem CID71842381
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2ncnc(N3CCCCC3)c2c1
InChIInChI=1S/C23H26N4O2/c1-2-29-21-9-5-4-8-18(21)15-24-23(28)17-10-11-20-19(14-17)22(26-16-25-20)27-12-6-3-7-13-27/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,24,28)
InChIKeyMDSVSRZDGKWDMU-UHFFFAOYSA-N
XLogP3.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
CID 71842437
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71830338
4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451
N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842520
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842457
N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20886710
N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051647
N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28564417
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide (CID 71842381) is N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide is CCOc1ccccc1CNC(=O)c1ccc2ncnc(N3CCCCC3)c2c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide?
The InChIKey is MDSVSRZDGKWDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-29-21-9-5-4-8-18(21)15-24-23(28)17-10-11-20-19(14-17)22(26-16-25-20)27-12-6-3-7-13-27/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,24,28).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide?
N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71842381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).