2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine

C14H14ClN3 — CID 18326542

IUPAC2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine
SMILESC=CCN(CC=C)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H14ClN3/c1-3-9-18(10-4-2)13-11-7-5-6-8-12(11)16-14(15)17-13/h3-8H,1-2,9-10H2
InChIKeyQUXAMAMFQMOWHA-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.46
Rot. Bonds5

About 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine

2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine (PubChem CID 18326542) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine
PubChem CID18326542
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine
SMILESC=CCN(CC=C)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H14ClN3/c1-3-9-18(10-4-2)13-11-7-5-6-8-12(11)16-14(15)17-13/h3-8H,1-2,9-10H2
InChIKeyQUXAMAMFQMOWHA-UHFFFAOYSA-N
XLogP3.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine (CID 18326542) is 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine is C=CCN(CC=C)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine?
The InChIKey is QUXAMAMFQMOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-3-9-18(10-4-2)13-11-7-5-6-8-12(11)16-14(15)17-13/h3-8H,1-2,9-10H2.
What are the key properties of 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine?
2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine has a molecular weight of 259.74 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine is sourced from PubChem (CID 18326542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).