N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide

C20H27ClN4O — CID 143198453

IUPACN-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide
SMILESCc1ccc2c(N3CCC(CNC(=O)CC(C)C)CC3)nc(Cl)nc2c1
InChIInChI=1S/C20H27ClN4O/c1-13(2)10-18(26)22-12-15-6-8-25(9-7-15)19-16-5-4-14(3)11-17(16)23-20(21)24-19/h4-5,11,13,15H,6-10,12H2,1-3H3,(H,22,26)
InChIKeyUEJHPAVGAVCCLS-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.97
Rot. Bonds5

About N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide

N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide (PubChem CID 143198453) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide
PubChem CID143198453
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide
SMILESCc1ccc2c(N3CCC(CNC(=O)CC(C)C)CC3)nc(Cl)nc2c1
InChIInChI=1S/C20H27ClN4O/c1-13(2)10-18(26)22-12-15-6-8-25(9-7-15)19-16-5-4-14(3)11-17(16)23-20(21)24-19/h4-5,11,13,15H,6-10,12H2,1-3H3,(H,22,26)
InChIKeyUEJHPAVGAVCCLS-UHFFFAOYSA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide (CID 143198453) is N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide is Cc1ccc2c(N3CCC(CNC(=O)CC(C)C)CC3)nc(Cl)nc2c1.
What is the InChIKey of N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide?
The InChIKey is UEJHPAVGAVCCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-13(2)10-18(26)22-12-15-6-8-25(9-7-15)19-16-5-4-14(3)11-17(16)23-20(21)24-19/h4-5,11,13,15H,6-10,12H2,1-3H3,(H,22,26).
What are the key properties of N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide?
N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide has a molecular weight of 374.92 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 143198453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).