(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline

C21H20N2O — CID 129404319

IUPAC(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESCOc1ccc([C@H]2Nc3ccccc3[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C21H20N2O/c1-24-17-13-11-16(12-14-17)21-22-19-10-6-5-9-18(19)20(23-21)15-7-3-2-4-8-15/h2-14,20-23H,1H3/t20-,21-/m0/s1
InChIKeyAVSODNFVEKJMMH-SFTDATJTSA-N
MW316.40 g/mol
LogP4.50
Rot. Bonds3

About (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline

(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline (PubChem CID 129404319) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
PubChem CID129404319
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESCOc1ccc([C@H]2Nc3ccccc3[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C21H20N2O/c1-24-17-13-11-16(12-14-17)21-22-19-10-6-5-9-18(19)20(23-21)15-7-3-2-4-8-15/h2-14,20-23H,1H3/t20-,21-/m0/s1
InChIKeyAVSODNFVEKJMMH-SFTDATJTSA-N
XLogP4.50
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 15566168
(3aR,4R,9bR)-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 101231058
2-(4-methoxyphenyl)-3-methyl-5-phenylimidazolidin-4-one
CID 14584879
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
buta-1,3-diene;4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl]-1,2,3,4-tetrahydroquinazoline
CID 144856519
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
(4aS,5R,10bS)-5-(4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11369917
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 15859200
4-(4-methoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 577333
2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 145202402
(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one
CID 132820348
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 16740807

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline (CID 129404319) is (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline is COc1ccc([C@H]2Nc3ccccc3[C@H](c3ccccc3)N2)cc1.
What is the InChIKey of (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The InChIKey is AVSODNFVEKJMMH-SFTDATJTSA-N. The full InChI is InChI=1S/C21H20N2O/c1-24-17-13-11-16(12-14-17)21-22-19-10-6-5-9-18(19)20(23-21)15-7-3-2-4-8-15/h2-14,20-23H,1H3/t20-,21-/m0/s1.
What are the key properties of (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline?
(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 316.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 129404319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).