N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

C25H27N5O — CID 20925641

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)cc2)CC1
InChIInChI=1S/C25H27N5O/c1-2-29-12-14-30(15-13-29)17-18-5-9-21(10-6-18)27-25(31)22-16-20-8-7-19-4-3-11-26-23(19)24(20)28-22/h3-11,16,28H,2,12-15,17H2,1H3,(H,27,31)
InChIKeyIBSWNYUEVDLHHN-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.11
Rot. Bonds5

About N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide (PubChem CID 20925641) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
PubChem CID20925641
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)cc2)CC1
InChIInChI=1S/C25H27N5O/c1-2-29-12-14-30(15-13-29)17-18-5-9-21(10-6-18)27-25(31)22-16-20-8-7-19-4-3-11-26-23(19)24(20)28-22/h3-11,16,28H,2,12-15,17H2,1H3,(H,27,31)
InChIKeyIBSWNYUEVDLHHN-UHFFFAOYSA-N
XLogP4.11
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide (CID 20925641) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide is CCN1CCN(Cc2ccc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The InChIKey is IBSWNYUEVDLHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-2-29-12-14-30(15-13-29)17-18-5-9-21(10-6-18)27-25(31)22-16-20-8-7-19-4-3-11-26-23(19)24(20)28-22/h3-11,16,28H,2,12-15,17H2,1H3,(H,27,31).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide is sourced from PubChem (CID 20925641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).