10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

C26H28ClN5O2S — CID 59516474

IUPAC10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCCC1CCNC(=O)c1c(=O)c2ccc(NCC3CC3)nc2n2c1sc1ccc(Cl)cc12
InChIInChI=1S/C26H28ClN5O2S/c1-31-12-2-3-17(31)10-11-28-25(34)22-23(33)18-7-9-21(29-14-15-4-5-15)30-24(18)32-19-13-16(27)6-8-20(19)35-26(22)32/h6-9,13,15,17H,2-5,10-12,14H2,1H3,(H,28,34)(H,29,30)
InChIKeyLVWLFVCRTJBNLO-UHFFFAOYSA-N
MW510.06 g/mol
LogP4.75
Rot. Bonds7

About 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 59516474) has the molecular formula C26H28ClN5O2S and a molecular weight of 510.06 g/mol. Its IUPAC name is 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID59516474
Molecular FormulaC26H28ClN5O2S
Molecular Weight510.06 g/mol
Exact Mass509.17
IUPAC Name10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCCC1CCNC(=O)c1c(=O)c2ccc(NCC3CC3)nc2n2c1sc1ccc(Cl)cc12
InChIInChI=1S/C26H28ClN5O2S/c1-31-12-2-3-17(31)10-11-28-25(34)22-23(33)18-7-9-21(29-14-15-4-5-15)30-24(18)32-19-13-16(27)6-8-20(19)35-26(22)32/h6-9,13,15,17H,2-5,10-12,14H2,1H3,(H,28,34)(H,29,30)
InChIKeyLVWLFVCRTJBNLO-UHFFFAOYSA-N
XLogP4.75
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.06
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (CID 59516474) is 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is CN1CCCC1CCNC(=O)c1c(=O)c2ccc(NCC3CC3)nc2n2c1sc1ccc(Cl)cc12.
What is the InChIKey of 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is LVWLFVCRTJBNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2S/c1-31-12-2-3-17(31)10-11-28-25(34)22-23(33)18-7-9-21(29-14-15-4-5-15)30-24(18)32-19-13-16(27)6-8-20(19)35-26(22)32/h6-9,13,15,17H,2-5,10-12,14H2,1H3,(H,28,34)(H,29,30).
What are the key properties of 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 510.06 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 59516474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).