6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one

C17H20BrN3O2 — CID 31069717

IUPAC6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESC[C@@H]1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1
InChIInChI=1S/C17H20BrN3O2/c1-12-3-2-7-20(10-12)16(22)6-8-21-11-19-15-5-4-13(18)9-14(15)17(21)23/h4-5,9,11-12H,2-3,6-8,10H2,1H3/t12-/m1/s1
InChIKeyRCVYPXOEXRPVGP-GFCCVEGCSA-N
MW378.27 g/mol
LogP2.81
Rot. Bonds3

About 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one

6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 31069717) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID31069717
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESC[C@@H]1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1
InChIInChI=1S/C17H20BrN3O2/c1-12-3-2-7-20(10-12)16(22)6-8-21-11-19-15-5-4-13(18)9-14(15)17(21)23/h4-5,9,11-12H,2-3,6-8,10H2,1H3/t12-/m1/s1
InChIKeyRCVYPXOEXRPVGP-GFCCVEGCSA-N
XLogP2.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124620440
6-bromo-3-[3-[(3S)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124697383
6-bromo-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 42938979
3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119376047
(3R)-1-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]-N-hexylpiperidine-3-carboxamide
CID 52909517
3-[3-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-6-bromoquinazolin-4-one
CID 124702225
2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 39934425
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one
CID 119378564
tert-butyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 31122265
6-bromo-3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31111530
6-bromo-3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]quinazolin-4-one
CID 38378074

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 31069717) is 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one is C[C@@H]1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1.
What is the InChIKey of 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is RCVYPXOEXRPVGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-12-3-2-7-20(10-12)16(22)6-8-21-11-19-15-5-4-13(18)9-14(15)17(21)23/h4-5,9,11-12H,2-3,6-8,10H2,1H3/t12-/m1/s1.
What are the key properties of 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 378.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 31069717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).