1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide

C25H32N6O — CID 69226814

IUPAC1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc2c(NCc3ccc(CN4CCC(C(N)=O)CC4)cc3)nc(N(C)C)nc2c1
InChIInChI=1S/C25H32N6O/c1-17-4-9-21-22(14-17)28-25(30(2)3)29-24(21)27-15-18-5-7-19(8-6-18)16-31-12-10-20(11-13-31)23(26)32/h4-9,14,20H,10-13,15-16H2,1-3H3,(H2,26,32)(H,27,28,29)
InChIKeyHXYVCPLWXVCYCI-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.31
Rot. Bonds7

About 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide

1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 69226814) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID69226814
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc2c(NCc3ccc(CN4CCC(C(N)=O)CC4)cc3)nc(N(C)C)nc2c1
InChIInChI=1S/C25H32N6O/c1-17-4-9-21-22(14-17)28-25(30(2)3)29-24(21)27-15-18-5-7-19(8-6-18)16-31-12-10-20(11-13-31)23(26)32/h4-9,14,20H,10-13,15-16H2,1-3H3,(H2,26,32)(H,27,28,29)
InChIKeyHXYVCPLWXVCYCI-UHFFFAOYSA-N
XLogP3.31
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45487463
1-benzyl-N-[4-[[[2-(dimethylamino)-7-propan-2-ylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide
CID 25024152
1-benzyl-N-[4-[[[2-(dimethylamino)-7-[(E)-3,3-dimethylbut-1-enyl]quinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide
CID 68942376
1-benzyl-N-[4-[[[2-(dimethylamino)-6-iodoquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide
CID 25026908
1-[[4-[[(2-chloroacetyl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 154871087
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 175941734
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
sodium 4-[(4-carbamoylpiperidin-1-yl)methyl]phenolate
CID 57448397
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43169014

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide (CID 69226814) is 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide is Cc1ccc2c(NCc3ccc(CN4CCC(C(N)=O)CC4)cc3)nc(N(C)C)nc2c1.
What is the InChIKey of 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is HXYVCPLWXVCYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-17-4-9-21-22(14-17)28-25(30(2)3)29-24(21)27-15-18-5-7-19(8-6-18)16-31-12-10-20(11-13-31)23(26)32/h4-9,14,20H,10-13,15-16H2,1-3H3,(H2,26,32)(H,27,28,29).
What are the key properties of 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide?
1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 69226814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).