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

C24H29N3O5 — CID 51546802

IUPACN-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C24H29N3O5/c1-3-25-22(28)15-32-20-11-10-16(13-21(20)30-2)23-26-19-9-5-4-8-18(19)24(29)27(23)14-17-7-6-12-31-17/h4-5,8-11,13,17,23,26H,3,6-7,12,14-15H2,1-2H3,(H,25,28)/t17-,23+/m0/s1
InChIKeyAXMPCBSFOYHQIO-GAJHUEQPSA-N
MW439.51 g/mol
LogP2.96
Rot. Bonds8

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

N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (PubChem CID 51546802) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
PubChem CID51546802
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C24H29N3O5/c1-3-25-22(28)15-32-20-11-10-16(13-21(20)30-2)23-26-19-9-5-4-8-18(19)24(29)27(23)14-17-7-6-12-31-17/h4-5,8-11,13,17,23,26H,3,6-7,12,14-15H2,1-2H3,(H,25,28)/t17-,23+/m0/s1
InChIKeyAXMPCBSFOYHQIO-GAJHUEQPSA-N
XLogP2.96
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779756
2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 24512402
(2R)-2-(3-fluoro-4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038506
methyl 4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]benzoate
CID 25337703
(2R)-2-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038616
N-ethyl-2-[2-methoxy-4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 55355452
(2R)-2-(4-ethoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384421
2-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 42919178
2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 17396250
(2R)-2-(4-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384441

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (CID 51546802) is N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is CCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The InChIKey is AXMPCBSFOYHQIO-GAJHUEQPSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-3-25-22(28)15-32-20-11-10-16(13-21(20)30-2)23-26-19-9-5-4-8-18(19)24(29)27(23)14-17-7-6-12-31-17/h4-5,8-11,13,17,23,26H,3,6-7,12,14-15H2,1-2H3,(H,25,28)/t17-,23+/m0/s1.
What are the key properties of N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide has a molecular weight of 439.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 51546802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).