(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one

C24H27N3O5 — CID 41219072

IUPAC(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C24H27N3O5/c1-30-21-14-16(6-9-20(21)32-15-22(28)26-10-12-31-13-11-26)23-25-19-5-3-2-4-18(19)24(29)27(23)17-7-8-17/h2-6,9,14,17,23,25H,7-8,10-13,15H2,1H3/t23-/m0/s1
InChIKeyRSKJLAZZLKVDSU-QHCPKHFHSA-N
MW437.50 g/mol
LogP2.66
Rot. Bonds6

About (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one

(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 41219072) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID41219072
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C24H27N3O5/c1-30-21-14-16(6-9-20(21)32-15-22(28)26-10-12-31-13-11-26)23-25-19-5-3-2-4-18(19)24(29)27(23)17-7-8-17/h2-6,9,14,17,23,25H,7-8,10-13,15H2,1H3/t23-/m0/s1
InChIKeyRSKJLAZZLKVDSU-QHCPKHFHSA-N
XLogP2.66
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 40973072
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 17431478
(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008714
2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 54779970
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
2-[4-[(2R)-3-[(2S)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenoxy]acetic acid
CID 9008372
(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726
methyl 4-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864677
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 4876101

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one (CID 41219072) is (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one is COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is RSKJLAZZLKVDSU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-30-21-14-16(6-9-20(21)32-15-22(28)26-10-12-31-13-11-26)23-25-19-5-3-2-4-18(19)24(29)27(23)17-7-8-17/h2-6,9,14,17,23,25H,7-8,10-13,15H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 437.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 41219072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).