7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine

C14H16ClN3O — CID 97253924

IUPAC7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
SMILESC[C@@H]1C[C@@H](Nc2ncnc3cc(Cl)ccc23)CCO1
InChIInChI=1S/C14H16ClN3O/c1-9-6-11(4-5-19-9)18-14-12-3-2-10(15)7-13(12)16-8-17-14/h2-3,7-9,11H,4-6H2,1H3,(H,16,17,18)/t9-,11+/m1/s1
InChIKeyUVPZZAOCQASOBQ-KOLCDFICSA-N
MW277.75 g/mol
LogP3.26
Rot. Bonds2

About 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine

7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine (PubChem CID 97253924) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
PubChem CID97253924
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
SMILESC[C@@H]1C[C@@H](Nc2ncnc3cc(Cl)ccc23)CCO1
InChIInChI=1S/C14H16ClN3O/c1-9-6-11(4-5-19-9)18-14-12-3-2-10(15)7-13(12)16-8-17-14/h2-3,7-9,11H,4-6H2,1H3,(H,16,17,18)/t9-,11+/m1/s1
InChIKeyUVPZZAOCQASOBQ-KOLCDFICSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine (CID 97253924) is 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine is C[C@@H]1C[C@@H](Nc2ncnc3cc(Cl)ccc23)CCO1.
What is the InChIKey of 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine?
The InChIKey is UVPZZAOCQASOBQ-KOLCDFICSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-6-11(4-5-19-9)18-14-12-3-2-10(15)7-13(12)16-8-17-14/h2-3,7-9,11H,4-6H2,1H3,(H,16,17,18)/t9-,11+/m1/s1.
What are the key properties of 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine?
7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine is sourced from PubChem (CID 97253924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).