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

C14H13ClN2 — CID 40649208

IUPAC(4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESClc1ccc2c(c1)[C@H](c1ccccc1)NCN2
InChIInChI=1S/C14H13ClN2/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
InChIKeyBZPWBVHPPQZBLJ-AWEZNQCLSA-N
MW244.73 g/mol
LogP3.40
Rot. Bonds1

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

(4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline (PubChem CID 40649208) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is (4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name(4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline
PubChem CID40649208
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name(4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESClc1ccc2c(c1)[C@H](c1ccccc1)NCN2
InChIInChI=1S/C14H13ClN2/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
InChIKeyBZPWBVHPPQZBLJ-AWEZNQCLSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 102600264
7-chloro-5-phenyl-1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one
CID 154101048
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 96956787
2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline
CID 15566238
6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 15566168
6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline
CID 15566234
(2S,4S)-6-chloro-2-(1H-indol-3-yl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404357
(3aS,4R,9bS)-8-chloro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 10541164
6-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline
CID 11266252
9-chloro-1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,2-d][1]benzazepine
CID 171725247
3-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 18675457
1-butyl-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 21484739

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of (4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline (CID 40649208) is (4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for (4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for (4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline is Clc1ccc2c(c1)[C@H](c1ccccc1)NCN2.
What is the InChIKey of (4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The InChIKey is BZPWBVHPPQZBLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13ClN2/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-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline?
(4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 244.73 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 40649208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).