4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide

C20H18ClN5O — CID 23366768

IUPAC4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide
SMILESO=C(CCCCl)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1
InChIInChI=1S/C20H18ClN5O/c21-8-1-2-19(27)25-15-4-6-18-16(11-15)20(24-12-23-18)26-14-3-5-17-13(10-14)7-9-22-17/h3-7,9-12,22H,1-2,8H2,(H,25,27)(H,23,24,26)
InChIKeySUPHEZJBHOETQP-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.81
Rot. Bonds6

About 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide

4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide (PubChem CID 23366768) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide
PubChem CID23366768
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide
SMILESO=C(CCCCl)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1
InChIInChI=1S/C20H18ClN5O/c21-8-1-2-19(27)25-15-4-6-18-16(11-15)20(24-12-23-18)26-14-3-5-17-13(10-14)7-9-22-17/h3-7,9-12,22H,1-2,8H2,(H,25,27)(H,23,24,26)
InChIKeySUPHEZJBHOETQP-UHFFFAOYSA-N
XLogP4.81
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide?
The IUPAC name of 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide (CID 23366768) is 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide?
The canonical SMILES for 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide is O=C(CCCCl)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1.
What is the InChIKey of 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide?
The InChIKey is SUPHEZJBHOETQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c21-8-1-2-19(27)25-15-4-6-18-16(11-15)20(24-12-23-18)26-14-3-5-17-13(10-14)7-9-22-17/h3-7,9-12,22H,1-2,8H2,(H,25,27)(H,23,24,26).
What are the key properties of 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide?
4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide has a molecular weight of 379.85 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]butanamide is sourced from PubChem (CID 23366768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).