4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide

C23H25F2N5O3 — CID 44571223

IUPAC4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCOCC1
InChIInChI=1S/C23H25F2N5O3/c1-32-21-12-19-15(11-20(21)27-4-5-30-6-8-33-9-7-30)22(16(13-28-19)23(26)31)29-18-3-2-14(24)10-17(18)25/h2-3,10-13,27H,4-9H2,1H3,(H2,26,31)(H,28,29)
InChIKeyQHTUGHGRDVZBTD-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.11
Rot. Bonds8

About 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide

4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide (PubChem CID 44571223) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide
PubChem CID44571223
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCOCC1
InChIInChI=1S/C23H25F2N5O3/c1-32-21-12-19-15(11-20(21)27-4-5-30-6-8-33-9-7-30)22(16(13-28-19)23(26)31)29-18-3-2-14(24)10-17(18)25/h2-3,10-13,27H,4-9H2,1H3,(H2,26,31)(H,28,29)
InChIKeyQHTUGHGRDVZBTD-UHFFFAOYSA-N
XLogP3.11
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide (CID 44571223) is 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCOCC1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide?
The InChIKey is QHTUGHGRDVZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-32-21-12-19-15(11-20(21)27-4-5-30-6-8-33-9-7-30)22(16(13-28-19)23(26)31)29-18-3-2-14(24)10-17(18)25/h2-3,10-13,27H,4-9H2,1H3,(H2,26,31)(H,28,29).
What are the key properties of 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-7-methoxy-6-(2-morpholin-4-ylethylamino)quinoline-3-carboxamide is sourced from PubChem (CID 44571223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).