N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine

C21H32N6O — CID 126895886

IUPACN,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(CCN4CCCOCC4)CC3)cc12
InChIInChI=1S/C21H32N6O/c1-24(2)21-19-16-18(4-5-20(19)22-17-23-21)27-11-9-26(10-12-27)8-7-25-6-3-14-28-15-13-25/h4-5,16-17H,3,6-15H2,1-2H3
InChIKeyBVRPPJZETHZJFB-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.54
Rot. Bonds5

About N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine

N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine (PubChem CID 126895886) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
PubChem CID126895886
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC NameN,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(CCN4CCCOCC4)CC3)cc12
InChIInChI=1S/C21H32N6O/c1-24(2)21-19-16-18(4-5-20(19)22-17-23-21)27-11-9-26(10-12-27)8-7-25-6-3-14-28-15-13-25/h4-5,16-17H,3,6-15H2,1-2H3
InChIKeyBVRPPJZETHZJFB-UHFFFAOYSA-N
XLogP1.54
TPSA47.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
N,N-dimethyl-6-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895875
1-[2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethyl]azepan-2-one
CID 126895890
N,N-dimethyl-6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895844
4-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126895783
N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895850
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895778
3-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126895764
6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895937
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928
6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895865
7-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]azepan-2-one
CID 126895768

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine (CID 126895886) is N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine is CN(C)c1ncnc2ccc(N3CCN(CCN4CCCOCC4)CC3)cc12.
What is the InChIKey of N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine?
The InChIKey is BVRPPJZETHZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-24(2)21-19-16-18(4-5-20(19)22-17-23-21)27-11-9-26(10-12-27)8-7-25-6-3-14-28-15-13-25/h4-5,16-17H,3,6-15H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine?
N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine has a molecular weight of 384.53 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 126895886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).