3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline

C32H30N2 — CID 71049444

IUPAC3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline
SMILESC[C@H](c1cccc2ccccc12)N1Cc2ccccc2N([C@@H](C)c2cccc3ccccc23)C1
InChIInChI=1S/C32H30N2/c1-23(28-18-9-14-25-11-3-6-16-30(25)28)33-21-27-13-5-8-20-32(27)34(22-33)24(2)29-19-10-15-26-12-4-7-17-31(26)29/h3-20,23-24H,21-22H2,1-2H3/t23-,24+/m1/s1
InChIKeyDUTWBOHAMFIGQH-RPWUZVMVSA-N
MW442.61 g/mol
LogP8.09
Rot. Bonds4

About 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline

3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline (PubChem CID 71049444) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline.

Molecular Properties

Compound Name3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline
PubChem CID71049444
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline
SMILESC[C@H](c1cccc2ccccc12)N1Cc2ccccc2N([C@@H](C)c2cccc3ccccc23)C1
InChIInChI=1S/C32H30N2/c1-23(28-18-9-14-25-11-3-6-16-30(25)28)33-21-27-13-5-8-20-32(27)34(22-33)24(2)29-19-10-15-26-12-4-7-17-31(26)29/h3-20,23-24H,21-22H2,1-2H3/t23-,24+/m1/s1
InChIKeyDUTWBOHAMFIGQH-RPWUZVMVSA-N
XLogP8.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline with MolForge

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Related Compounds

1-(1-naphthalen-1-ylethyl)azetidin-3-ol
CID 23381710
1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine
CID 140718499
1-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 162354731
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
CID 65069244
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
6-(1-naphthalen-1-ylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678358
2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
CID 95582678
1-(1-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669260
4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168658813
(3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 162354734
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline?
The IUPAC name of 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline (CID 71049444) is 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline.
What is the SMILES notation for 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline?
The canonical SMILES for 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline is C[C@H](c1cccc2ccccc12)N1Cc2ccccc2N([C@@H](C)c2cccc3ccccc23)C1.
What is the InChIKey of 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline?
The InChIKey is DUTWBOHAMFIGQH-RPWUZVMVSA-N. The full InChI is InChI=1S/C32H30N2/c1-23(28-18-9-14-25-11-3-6-16-30(25)28)33-21-27-13-5-8-20-32(27)34(22-33)24(2)29-19-10-15-26-12-4-7-17-31(26)29/h3-20,23-24H,21-22H2,1-2H3/t23-,24+/m1/s1.
What are the key properties of 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline?
3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline has a molecular weight of 442.61 g/mol, XLogP of 8.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-naphthalen-1-ylethyl]-1-[(1S)-1-naphthalen-1-ylethyl]-2,4-dihydroquinazoline is sourced from PubChem (CID 71049444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).