N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

C23H29FN4O2 — CID 163895816

IUPACN-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(C2C3C(=O)Nc4ccc(F)cc4C32)c1C
InChIInChI=1S/C23H29FN4O2/c1-5-28(6-2)10-9-25-22(29)17-12(3)21(26-13(17)4)19-18-15-11-14(24)7-8-16(15)27-23(30)20(18)19/h7-8,11,18-20,26H,5-6,9-10H2,1-4H3,(H,25,29)(H,27,30)
InChIKeyQFMNIJPFISKOTO-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 163895816) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID163895816
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(C2C3C(=O)Nc4ccc(F)cc4C32)c1C
InChIInChI=1S/C23H29FN4O2/c1-5-28(6-2)10-9-25-22(29)17-12(3)21(26-13(17)4)19-18-15-11-14(24)7-8-16(15)27-23(30)20(18)19/h7-8,11,18-20,26H,5-6,9-10H2,1-4H3,(H,25,29)(H,27,30)
InChIKeyQFMNIJPFISKOTO-UHFFFAOYSA-N
XLogP3.29
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 163895816) is N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(C2C3C(=O)Nc4ccc(F)cc4C32)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is QFMNIJPFISKOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-5-28(6-2)10-9-25-22(29)17-12(3)21(26-13(17)4)19-18-15-11-14(24)7-8-16(15)27-23(30)20(18)19/h7-8,11,18-20,26H,5-6,9-10H2,1-4H3,(H,25,29)(H,27,30).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 163895816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).