N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine

C14H18ClN3 — CID 65029030

IUPACN-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine
SMILESCC(C)CC(CCl)Nc1ncnc2ccccc12
InChIInChI=1S/C14H18ClN3/c1-10(2)7-11(8-15)18-14-12-5-3-4-6-13(12)16-9-17-14/h3-6,9-11H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyAZDYJWBADVGUPV-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.70
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine

N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine (PubChem CID 65029030) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine
PubChem CID65029030
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine
SMILESCC(C)CC(CCl)Nc1ncnc2ccccc12
InChIInChI=1S/C14H18ClN3/c1-10(2)7-11(8-15)18-14-12-5-3-4-6-13(12)16-9-17-14/h3-6,9-11H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyAZDYJWBADVGUPV-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 65029549
N-(1-methoxybutan-2-yl)quinazolin-4-amine
CID 20545321
4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
CID 114178266
N-heptan-2-ylquinazolin-4-amine
CID 54950682
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
N-undecan-2-ylquinazolin-4-amine
CID 86111387
N-(1-chloro-4-methylpentan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327825
2-methylsulfanyl-3-(quinazolin-4-ylamino)butan-1-ol
CID 103683883
N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386758
N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine
CID 83063008

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine (CID 65029030) is N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine is CC(C)CC(CCl)Nc1ncnc2ccccc12.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine?
The InChIKey is AZDYJWBADVGUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10(2)7-11(8-15)18-14-12-5-3-4-6-13(12)16-9-17-14/h3-6,9-11H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine?
N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine has a molecular weight of 263.77 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 65029030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).