ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate

C14H16N2O2 — CID 91304404

IUPACethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC2=Nc3ccccc3CN21
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)12-7-8-13-15-11-6-4-3-5-10(11)9-16(12)13/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyWMGLVJYQPDZARJ-LBPRGKRZSA-N
MW244.29 g/mol
LogP2.26
Rot. Bonds2

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

ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate (PubChem CID 91304404) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate
PubChem CID91304404
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC2=Nc3ccccc3CN21
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)12-7-8-13-15-11-6-4-3-5-10(11)9-16(12)13/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyWMGLVJYQPDZARJ-LBPRGKRZSA-N
XLogP2.26
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1S)-7-thiophen-2-yl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate
CID 44545019
ethyl 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 139251099
ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate
CID 12628985
1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
CID 163384636
ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
CID 163384635
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 14031444
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
ethyl 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)pyrrolidine-2-carboxylate
CID 66396737
ethyl (2S)-1,2,3,4-tetrahydroquinolin-1-ium-2-carboxylate chloride
CID 134935954

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate?
The IUPAC name of ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate (CID 91304404) is ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate.
What is the SMILES notation for ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate?
The canonical SMILES for ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate is CCOC(=O)[C@@H]1CCC2=Nc3ccccc3CN21.
What is the InChIKey of ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate?
The InChIKey is WMGLVJYQPDZARJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-14(17)12-7-8-13-15-11-6-4-3-5-10(11)9-16(12)13/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1.
What are the key properties of ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate?
ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate is sourced from PubChem (CID 91304404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).