(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone

C23H22N4O — CID 135410461

IUPAC(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2ccc3cc(C(=O)N4CCN(c5ccccc5)CC4)nc3c2[nH]1
InChIInChI=1S/C23H22N4O/c1-16-7-8-17-9-10-18-15-20(25-22(18)21(17)24-16)23(28)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,15,24H,11-14H2,1H3
InChIKeyBTYANZMHPSDKOO-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.99
Rot. Bonds2

About (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone

(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 135410461) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID135410461
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2ccc3cc(C(=O)N4CCN(c5ccccc5)CC4)nc3c2[nH]1
InChIInChI=1S/C23H22N4O/c1-16-7-8-17-9-10-18-15-20(25-22(18)21(17)24-16)23(28)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,15,24H,11-14H2,1H3
InChIKeyBTYANZMHPSDKOO-UHFFFAOYSA-N
XLogP3.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 135410461) is (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1ccc2ccc3cc(C(=O)N4CCN(c5ccccc5)CC4)nc3c2[nH]1.
What is the InChIKey of (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BTYANZMHPSDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-7-8-17-9-10-18-15-20(25-22(18)21(17)24-16)23(28)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,15,24H,11-14H2,1H3.
What are the key properties of (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 370.46 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 135410461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).