7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C23H29N5O2 — CID 71565886

IUPAC7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCC(C)CC1COCCN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1
InChIInChI=1S/C23H29N5O2/c1-15(2)8-18-14-30-7-6-28(18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16/h4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29)
InChIKeyBRKGAZHLBSKZJN-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.98
Rot. Bonds6

About 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 71565886) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID71565886
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCC(C)CC1COCCN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1
InChIInChI=1S/C23H29N5O2/c1-15(2)8-18-14-30-7-6-28(18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16/h4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29)
InChIKeyBRKGAZHLBSKZJN-UHFFFAOYSA-N
XLogP2.98
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (CID 71565886) is 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is CC(C)CC1COCCN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.
What is the InChIKey of 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is BRKGAZHLBSKZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(2)8-18-14-30-7-6-28(18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16/h4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29).
What are the key properties of 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 71565886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).