7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine

C30H29N5O2 — CID 44532474

IUPAC7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine
SMILESCN1CCN(Cc2ccc(-c3ccc4c(Nc5ccc(Oc6ccccn6)cc5)ccnc4c3)o2)CC1
InChIInChI=1S/C30H29N5O2/c1-34-16-18-35(19-17-34)21-25-10-12-29(36-25)22-5-11-26-27(13-15-31-28(26)20-22)33-23-6-8-24(9-7-23)37-30-4-2-3-14-32-30/h2-15,20H,16-19,21H2,1H3,(H,31,33)
InChIKeyDHNQWIDXEDVBLY-UHFFFAOYSA-N
MW491.60 g/mol
LogP6.17
Rot. Bonds7

About 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine

7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine (PubChem CID 44532474) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine
PubChem CID44532474
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC Name7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine
SMILESCN1CCN(Cc2ccc(-c3ccc4c(Nc5ccc(Oc6ccccn6)cc5)ccnc4c3)o2)CC1
InChIInChI=1S/C30H29N5O2/c1-34-16-18-35(19-17-34)21-25-10-12-29(36-25)22-5-11-26-27(13-15-31-28(26)20-22)33-23-6-8-24(9-7-23)37-30-4-2-3-14-32-30/h2-15,20H,16-19,21H2,1H3,(H,31,33)
InChIKeyDHNQWIDXEDVBLY-UHFFFAOYSA-N
XLogP6.17
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine?
The IUPAC name of 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine (CID 44532474) is 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine is CN1CCN(Cc2ccc(-c3ccc4c(Nc5ccc(Oc6ccccn6)cc5)ccnc4c3)o2)CC1.
What is the InChIKey of 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine?
The InChIKey is DHNQWIDXEDVBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c1-34-16-18-35(19-17-34)21-25-10-12-29(36-25)22-5-11-26-27(13-15-31-28(26)20-22)33-23-6-8-24(9-7-23)37-30-4-2-3-14-32-30/h2-15,20H,16-19,21H2,1H3,(H,31,33).
What are the key properties of 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine?
7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine has a molecular weight of 491.60 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44532474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).