(4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline

C14H13BrN2 — CID 102600264

IUPAC(4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESBrc1ccc2c(c1)[C@H](c1ccccc1)NCN2
InChIInChI=1S/C14H13BrN2/c15-11-6-7-13-12(8-11)14(17-9-16-13)10-4-2-1-3-5-10/h1-8,14,16-17H,9H2/t14-/m0/s1
InChIKeyLNFVPNFLZZTZHD-AWEZNQCLSA-N
MW289.18 g/mol
LogP3.51
Rot. Bonds1

About (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline

(4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline (PubChem CID 102600264) has the molecular formula C14H13BrN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name(4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline
PubChem CID102600264
Molecular FormulaC14H13BrN2
Molecular Weight289.18 g/mol
Exact Mass288.03
IUPAC Name(4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESBrc1ccc2c(c1)[C@H](c1ccccc1)NCN2
InChIInChI=1S/C14H13BrN2/c15-11-6-7-13-12(8-11)14(17-9-16-13)10-4-2-1-3-5-10/h1-8,14,16-17H,9H2/t14-/m0/s1
InChIKeyLNFVPNFLZZTZHD-AWEZNQCLSA-N
XLogP3.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 40649208
5-bromo-3-phenyl-2,3-dihydro-1H-indole
CID 177342618
7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 79290898
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
(3aS,4R,9bS)-8-bromo-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11858814
1-(7-bromo-5-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)propan-1-one
CID 67354176
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137755
(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
CID 95430883
5-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706364
(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol
CID 71068546
5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
CID 106986337

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline (CID 102600264) is (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline is Brc1ccc2c(c1)[C@H](c1ccccc1)NCN2.
What is the InChIKey of (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The InChIKey is LNFVPNFLZZTZHD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13BrN2/c15-11-6-7-13-12(8-11)14(17-9-16-13)10-4-2-1-3-5-10/h1-8,14,16-17H,9H2/t14-/m0/s1.
What are the key properties of (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline?
(4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 289.18 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 102600264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).