N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

C22H27N3O4 — CID 9009141

IUPACN-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(=O)NCC)c(OC)c1
InChIInChI=1S/C22H27N3O4/c1-4-12-25-21(24-17-9-7-6-8-16(17)22(25)27)15-10-11-18(19(13-15)28-3)29-14-20(26)23-5-2/h6-11,13,21,24H,4-5,12,14H2,1-3H3,(H,23,26)/t21-/m0/s1
InChIKeyAOKWEAKGWAACIZ-NRFANRHFSA-N
MW397.48 g/mol
LogP3.19
Rot. Bonds8

About N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (PubChem CID 9009141) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
PubChem CID9009141
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(=O)NCC)c(OC)c1
InChIInChI=1S/C22H27N3O4/c1-4-12-25-21(24-17-9-7-6-8-16(17)22(25)27)15-10-11-18(19(13-15)28-3)29-14-20(26)23-5-2/h6-11,13,21,24H,4-5,12,14H2,1-3H3,(H,23,26)/t21-/m0/s1
InChIKeyAOKWEAKGWAACIZ-NRFANRHFSA-N
XLogP3.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 51546802
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 51546805
N-ethyl-2-[2-methoxy-4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 55355452
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 54779970
7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 60525683
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778948
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54779965
methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9008981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (CID 9009141) is N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(=O)NCC)c(OC)c1.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The InChIKey is AOKWEAKGWAACIZ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-12-25-21(24-17-9-7-6-8-16(17)22(25)27)15-10-11-18(19(13-15)28-3)29-14-20(26)23-5-2/h6-11,13,21,24H,4-5,12,14H2,1-3H3,(H,23,26)/t21-/m0/s1.
What are the key properties of N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 9009141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).