(1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide

C20H21N3O2 — CID 171343934

IUPAC(1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
SMILESO=C(NCCc1cccc(O)c1)[C@@H]1CCC2=Nc3ccccc3CN21
InChIInChI=1S/C20H21N3O2/c24-16-6-3-4-14(12-16)10-11-21-20(25)18-8-9-19-22-17-7-2-1-5-15(17)13-23(18)19/h1-7,12,18,24H,8-11,13H2,(H,21,25)/t18-/m0/s1
InChIKeyGZUHXEDNMRARSX-SFHVURJKSA-N
MW335.41 g/mol
LogP2.76
Rot. Bonds4

About (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide

(1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide (PubChem CID 171343934) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
PubChem CID171343934
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
SMILESO=C(NCCc1cccc(O)c1)[C@@H]1CCC2=Nc3ccccc3CN21
InChIInChI=1S/C20H21N3O2/c24-16-6-3-4-14(12-16)10-11-21-20(25)18-8-9-19-22-17-7-2-1-5-15(17)13-23(18)19/h1-7,12,18,24H,8-11,13H2,(H,21,25)/t18-/m0/s1
InChIKeyGZUHXEDNMRARSX-SFHVURJKSA-N
XLogP2.76
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide with MolForge

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Related Compounds

(1S)-7-bromo-N-[2-(4-methoxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
CID 171349665
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
(2S,4S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634745
(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 97094963
1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 60602821
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
(2S,4R)-N-[2-(3-fluorophenyl)ethyl]-4-(4-fluorophenyl)sulfanyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 26324467
ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
CID 110481887
N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664
(1R,2S,5R)-N-[2-(3-hydroxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992196
tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
CID 10640703
2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 51098959

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide?
The IUPAC name of (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide (CID 171343934) is (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide is O=C(NCCc1cccc(O)c1)[C@@H]1CCC2=Nc3ccccc3CN21.
What is the InChIKey of (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide?
The InChIKey is GZUHXEDNMRARSX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-16-6-3-4-14(12-16)10-11-21-20(25)18-8-9-19-22-17-7-2-1-5-15(17)13-23(18)19/h1-7,12,18,24H,8-11,13H2,(H,21,25)/t18-/m0/s1.
What are the key properties of (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide?
(1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide is sourced from PubChem (CID 171343934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).