(Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal

C16H14N2O2 — CID 135870726

IUPAC(Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal
SMILESCC1(C)C(/C(C=O)=C/O)=Nc2c1ccc1cccnc21
InChIInChI=1S/C16H14N2O2/c1-16(2)12-6-5-10-4-3-7-17-13(10)14(12)18-15(16)11(8-19)9-20/h3-9,19H,1-2H3/b11-8+
InChIKeyDZRRRXKNFMMQGC-DHZHZOJOSA-N
MW266.30 g/mol
LogP3.24
Rot. Bonds2

About (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal

(Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal (PubChem CID 135870726) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal.

Molecular Properties

Compound Name(Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal
PubChem CID135870726
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal
SMILESCC1(C)C(/C(C=O)=C/O)=Nc2c1ccc1cccnc21
InChIInChI=1S/C16H14N2O2/c1-16(2)12-6-5-10-4-3-7-17-13(10)14(12)18-15(16)11(8-19)9-20/h3-9,19H,1-2H3/b11-8+
InChIKeyDZRRRXKNFMMQGC-DHZHZOJOSA-N
XLogP3.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal?
The IUPAC name of (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal (CID 135870726) is (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal.
What is the SMILES notation for (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal?
The canonical SMILES for (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal is CC1(C)C(/C(C=O)=C/O)=Nc2c1ccc1cccnc21.
What is the InChIKey of (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal?
The InChIKey is DZRRRXKNFMMQGC-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-16(2)12-6-5-10-4-3-7-17-13(10)14(12)18-15(16)11(8-19)9-20/h3-9,19H,1-2H3/b11-8+.
What are the key properties of (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal?
(Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal has a molecular weight of 266.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,3-dimethylpyrrolo[3,2-h]quinolin-2-yl)-3-hydroxyprop-2-enal is sourced from PubChem (CID 135870726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).