1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone

C25H29N5O2 — CID 37269145

IUPAC1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCOCC1
InChIInChI=1S/C25H29N5O2/c31-24(30-14-16-32-17-15-30)19-29-12-10-28(11-13-29)18-23-26-22-9-5-4-8-21(22)25(27-23)20-6-2-1-3-7-20/h1-9H,10-19H2
InChIKeySBSUJDWKYRGQLA-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.27
Rot. Bonds5

About 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 37269145) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID37269145
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCOCC1
InChIInChI=1S/C25H29N5O2/c31-24(30-14-16-32-17-15-30)19-29-12-10-28(11-13-29)18-23-26-22-9-5-4-8-21(22)25(27-23)20-6-2-1-3-7-20/h1-9H,10-19H2
InChIKeySBSUJDWKYRGQLA-UHFFFAOYSA-N
XLogP2.27
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[16-(quinolin-2-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 11535329
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 55493975
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
1-morpholin-4-yl-2-(4-quinolin-4-ylpiperazin-1-yl)ethanone
CID 75370496
2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone
CID 158645776
2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55448995
1-morpholin-4-yl-2-[4-[(2-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 17445200
2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline
CID 37254305
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 37130459
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone (CID 37269145) is 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone is O=C(CN1CCN(Cc2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is SBSUJDWKYRGQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c31-24(30-14-16-32-17-15-30)19-29-12-10-28(11-13-29)18-23-26-22-9-5-4-8-21(22)25(27-23)20-6-2-1-3-7-20/h1-9H,10-19H2.
What are the key properties of 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 431.54 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 37269145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).