N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine

C18H26N4 — CID 141430975

IUPACN-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine
SMILESCCCCC(C)NC1CCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H26N4/c1-3-4-7-14(2)21-15-10-11-22(12-15)18-16-8-5-6-9-17(16)19-13-20-18/h5-6,8-9,13-15,21H,3-4,7,10-12H2,1-2H3
InChIKeyXVSSQIGWYUFJFN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.38
Rot. Bonds6

About N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine

N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine (PubChem CID 141430975) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine
PubChem CID141430975
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine
SMILESCCCCC(C)NC1CCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H26N4/c1-3-4-7-14(2)21-15-10-11-22(12-15)18-16-8-5-6-9-17(16)19-13-20-18/h5-6,8-9,13-15,21H,3-4,7,10-12H2,1-2H3
InChIKeyXVSSQIGWYUFJFN-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
CID 63854555
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
CID 175650317
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
CID 114800924
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 142582663

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine?
The IUPAC name of N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine (CID 141430975) is N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine.
What is the SMILES notation for N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine?
The canonical SMILES for N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine is CCCCC(C)NC1CCN(c2ncnc3ccccc23)C1.
What is the InChIKey of N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine?
The InChIKey is XVSSQIGWYUFJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-4-7-14(2)21-15-10-11-22(12-15)18-16-8-5-6-9-17(16)19-13-20-18/h5-6,8-9,13-15,21H,3-4,7,10-12H2,1-2H3.
What are the key properties of N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine?
N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine has a molecular weight of 298.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine is sourced from PubChem (CID 141430975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).