N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide

C19H19ClN2O3 — CID 3138753

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C19H19ClN2O3/c1-2-3-8-16(23)22-17(15-7-5-10-25-15)13-11-14(20)12-6-4-9-21-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,22,23)
InChIKeySVSGMAXSFDIDCX-UHFFFAOYSA-N
MW358.82 g/mol
LogP4.58
Rot. Bonds6

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide (PubChem CID 3138753) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.82 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide
PubChem CID3138753
Molecular FormulaC19H19ClN2O3
Molecular Weight358.82 g/mol
Exact Mass358.11
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C19H19ClN2O3/c1-2-3-8-16(23)22-17(15-7-5-10-25-15)13-11-14(20)12-6-4-9-21-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,22,23)
InChIKeySVSGMAXSFDIDCX-UHFFFAOYSA-N
XLogP4.58
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide (CID 3138753) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide is CCCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide?
The InChIKey is SVSGMAXSFDIDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-2-3-8-16(23)22-17(15-7-5-10-25-15)13-11-14(20)12-6-4-9-21-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,22,23).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide has a molecular weight of 358.82 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pentanamide is sourced from PubChem (CID 3138753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).