4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline

C19H22N2 — CID 25188566

IUPAC4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
SMILESCC(c1ccccc1)N1Cc2ccccc2N2CCCC21
InChIInChI=1S/C19H22N2/c1-15(16-8-3-2-4-9-16)21-14-17-10-5-6-11-18(17)20-13-7-12-19(20)21/h2-6,8-11,15,19H,7,12-14H2,1H3
InChIKeyWERNIMBMMCFHGQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.19
Rot. Bonds2

About 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline

4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline (PubChem CID 25188566) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline.

Molecular Properties

Compound Name4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
PubChem CID25188566
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
SMILESCC(c1ccccc1)N1Cc2ccccc2N2CCCC21
InChIInChI=1S/C19H22N2/c1-15(16-8-3-2-4-9-16)21-14-17-10-5-6-11-18(17)20-13-7-12-19(20)21/h2-6,8-11,15,19H,7,12-14H2,1H3
InChIKeyWERNIMBMMCFHGQ-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
CID 25188279
4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
CID 25188277
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
4-[4-(trifluoromethyl)phenyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
CID 155665749
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
CID 102227667
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
CID 91030651
3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde
CID 100994968
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide
CID 42800674

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
The IUPAC name of 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline (CID 25188566) is 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline.
What is the SMILES notation for 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
The canonical SMILES for 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline is CC(c1ccccc1)N1Cc2ccccc2N2CCCC21.
What is the InChIKey of 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
The InChIKey is WERNIMBMMCFHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-15(16-8-3-2-4-9-16)21-14-17-10-5-6-11-18(17)20-13-7-12-19(20)21/h2-6,8-11,15,19H,7,12-14H2,1H3.
What are the key properties of 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline has a molecular weight of 278.40 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline is sourced from PubChem (CID 25188566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).