4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide

C26H28ClN5O4 — CID 67305858

IUPAC4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(C(=O)NC4CC4)c(Cl)c3N)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C26H28ClN5O4/c27-23-16(26(34)32-15-1-2-15)3-4-21(24(23)28)36-20-7-10-31-19-12-22(18(25(29)33)11-17(19)20)35-13-14-5-8-30-9-6-14/h3-4,7,10-12,14-15,30H,1-2,5-6,8-9,13,28H2,(H2,29,33)(H,32,34)
InChIKeyKYSUGHHSTIXJBV-UHFFFAOYSA-N
MW509.99 g/mol
LogP3.63
Rot. Bonds8

About 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide

4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide (PubChem CID 67305858) has the molecular formula C26H28ClN5O4 and a molecular weight of 509.99 g/mol. Its IUPAC name is 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide
PubChem CID67305858
Molecular FormulaC26H28ClN5O4
Molecular Weight509.99 g/mol
Exact Mass509.18
IUPAC Name4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(C(=O)NC4CC4)c(Cl)c3N)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C26H28ClN5O4/c27-23-16(26(34)32-15-1-2-15)3-4-21(24(23)28)36-20-7-10-31-19-12-22(18(25(29)33)11-17(19)20)35-13-14-5-8-30-9-6-14/h3-4,7,10-12,14-15,30H,1-2,5-6,8-9,13,28H2,(H2,29,33)(H,32,34)
InChIKeyKYSUGHHSTIXJBV-UHFFFAOYSA-N
XLogP3.63
TPSA141.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.99
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide with MolForge

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Related Compounds

4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide;4-methylbenzenesulfonic acid
CID 50923982
4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 69373218
5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382
N'-(4-chloro-3-fluorophenyl)-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 135350269
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
CID 67519530
5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide
CID 67202393
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(7-sulfanylheptoxy)quinoline-6-carboxamide
CID 155184854
N'-[(4-chlorophenyl)methyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 68808317
4-[2-amino-3-chloro-4-(ethylamino)-5-formylphenoxy]-N-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-6-carboxamide
CID 16735411
7-chloro-4-(piperidin-4-ylmethoxy)quinoline
CID 62348670
N'-[(3,5-dichlorophenyl)methyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 154213361

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide?
The IUPAC name of 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide (CID 67305858) is 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide.
What is the SMILES notation for 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide?
The canonical SMILES for 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide is NC(=O)c1cc2c(Oc3ccc(C(=O)NC4CC4)c(Cl)c3N)ccnc2cc1OCC1CCNCC1.
What is the InChIKey of 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide?
The InChIKey is KYSUGHHSTIXJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O4/c27-23-16(26(34)32-15-1-2-15)3-4-21(24(23)28)36-20-7-10-31-19-12-22(18(25(29)33)11-17(19)20)35-13-14-5-8-30-9-6-14/h3-4,7,10-12,14-15,30H,1-2,5-6,8-9,13,28H2,(H2,29,33)(H,32,34).
What are the key properties of 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide?
4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide has a molecular weight of 509.99 g/mol, XLogP of 3.63, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide is sourced from PubChem (CID 67305858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).